AtomPair CA 2 CA 1 HARMONIC 3.76796 0.5 AtomPair CA 3 CA 1 HARMONIC 6.43761 0.5 AtomPair CA 3 CA 2 HARMONIC 3.82207 0.5 AtomPair CA 4 CA 2 HARMONIC 6.14257 0.5 AtomPair CA 4 CA 3 HARMONIC 3.794 0.5 AtomPair CA 5 CA 3 HARMONIC 5.68831 0.5 AtomPair CA 5 CA 4 HARMONIC 3.76534 0.5 AtomPair CA 6 CA 3 HARMONIC 6.62957 0.5 AtomPair CA 6 CA 4 HARMONIC 6.01879 0.5 AtomPair CA 6 CA 5 HARMONIC 3.82863 0.5 AtomPair CA 7 CA 2 HARMONIC 7.96857 0.5 AtomPair CA 7 CA 3 HARMONIC 5.73937 0.5 AtomPair CA 7 CA 4 HARMONIC 5.12529 0.5 AtomPair CA 7 CA 5 HARMONIC 5.56224 0.5 AtomPair CA 7 CA 6 HARMONIC 3.78686 0.5 AtomPair CA 8 CA 1 HARMONIC 6.70143 0.5 AtomPair CA 8 CA 2 HARMONIC 5.53284 0.5 AtomPair CA 8 CA 3 HARMONIC 4.64166 0.5 AtomPair CA 8 CA 4 HARMONIC 6.29598 0.5 AtomPair CA 8 CA 5 HARMONIC 7.86892 0.5 AtomPair CA 8 CA 6 HARMONIC 6.51333 0.5 AtomPair CA 8 CA 7 HARMONIC 3.79551 0.5 AtomPair CA 9 CA 1 HARMONIC 6.00275 0.5 AtomPair CA 9 CA 2 HARMONIC 4.96066 0.5 AtomPair CA 9 CA 3 HARMONIC 6.51336 0.5 AtomPair CA 9 CA 4 HARMONIC 7.6395 0.5 AtomPair CA 9 CA 7 HARMONIC 6.42793 0.5 AtomPair CA 9 CA 8 HARMONIC 3.79556 0.5 AtomPair CA 10 CA 1 HARMONIC 5.16486 0.5 AtomPair CA 10 CA 2 HARMONIC 6.52125 0.5 AtomPair CA 10 CA 3 HARMONIC 8.97847 0.5 AtomPair CA 10 CA 8 HARMONIC 6.36403 0.5 AtomPair CA 10 CA 9 HARMONIC 3.80811 0.5 AtomPair CA 11 CA 1 HARMONIC 8.21705 0.5 AtomPair CA 11 CA 9 HARMONIC 6.1404 0.5 AtomPair CA 11 CA 10 HARMONIC 3.86993 0.5 AtomPair CA 12 CA 1 HARMONIC 8.00625 0.5 AtomPair CA 12 CA 2 HARMONIC 8.32715 0.5 AtomPair CA 12 CA 9 HARMONIC 7.28356 0.5 AtomPair CA 12 CA 10 HARMONIC 5.95585 0.5 AtomPair CA 12 CA 11 HARMONIC 3.87902 0.5 AtomPair CA 13 CA 1 HARMONIC 6.97226 0.5 AtomPair CA 13 CA 2 HARMONIC 7.60788 0.5 AtomPair CA 13 CA 9 HARMONIC 8.87536 0.5 AtomPair CA 13 CA 10 HARMONIC 7.59812 0.5 AtomPair CA 13 CA 11 HARMONIC 7.08812 0.5 AtomPair CA 13 CA 12 HARMONIC 3.83601 0.5 AtomPair CA 14 CA 2 HARMONIC 8.97864 0.5 AtomPair CA 14 CA 12 HARMONIC 6.83079 0.5 AtomPair CA 14 CA 13 HARMONIC 3.79358 0.5 AtomPair CA 15 CA 12 HARMONIC 8.38317 0.5 AtomPair CA 15 CA 13 HARMONIC 5.5052 0.5 AtomPair CA 15 CA 14 HARMONIC 3.87154 0.5 AtomPair CA 16 CA 12 HARMONIC 6.612 0.5 AtomPair CA 16 CA 13 HARMONIC 5.61767 0.5 AtomPair CA 16 CA 14 HARMONIC 5.35412 0.5 AtomPair CA 16 CA 15 HARMONIC 3.81697 0.5 AtomPair CA 17 CA 12 HARMONIC 7.46504 0.5 AtomPair CA 17 CA 13 HARMONIC 6.71814 0.5 AtomPair CA 17 CA 14 HARMONIC 4.92986 0.5 AtomPair CA 17 CA 15 HARMONIC 5.5358 0.5 AtomPair CA 17 CA 16 HARMONIC 3.8231 0.5 AtomPair CA 18 CA 14 HARMONIC 6.05407 0.5 AtomPair CA 18 CA 15 HARMONIC 5.29719 0.5 AtomPair CA 18 CA 16 HARMONIC 5.55092 0.5 AtomPair CA 18 CA 17 HARMONIC 3.81085 0.5 AtomPair CA 19 CA 14 HARMONIC 8.55015 0.5 AtomPair CA 19 CA 15 HARMONIC 6.19253 0.5 AtomPair CA 19 CA 16 HARMONIC 5.37112 0.5 AtomPair CA 19 CA 17 HARMONIC 5.66767 0.5 AtomPair CA 19 CA 18 HARMONIC 3.80529 0.5 AtomPair CA 20 CA 15 HARMONIC 8.56177 0.5 AtomPair CA 20 CA 16 HARMONIC 6.12839 0.5 AtomPair CA 20 CA 17 HARMONIC 5.22615 0.5 AtomPair CA 20 CA 18 HARMONIC 5.39256 0.5 AtomPair CA 20 CA 19 HARMONIC 3.84194 0.5 AtomPair CA 21 CA 16 HARMONIC 8.53019 0.5 AtomPair CA 21 CA 17 HARMONIC 6.066 0.5 AtomPair CA 21 CA 18 HARMONIC 4.97505 0.5 AtomPair CA 21 CA 19 HARMONIC 5.43721 0.5 AtomPair CA 21 CA 20 HARMONIC 3.79501 0.5 AtomPair CA 22 CA 17 HARMONIC 8.68438 0.5 AtomPair CA 22 CA 18 HARMONIC 6.08333 0.5 AtomPair CA 22 CA 19 HARMONIC 5.27501 0.5 AtomPair CA 22 CA 20 HARMONIC 5.63232 0.5 AtomPair CA 22 CA 21 HARMONIC 3.78009 0.5 AtomPair CA 23 CA 18 HARMONIC 8.68119 0.5 AtomPair CA 23 CA 19 HARMONIC 6.48566 0.5 AtomPair CA 23 CA 20 HARMONIC 5.43376 0.5 AtomPair CA 23 CA 21 HARMONIC 5.39294 0.5 AtomPair CA 23 CA 22 HARMONIC 3.83918 0.5 AtomPair CA 24 CA 19 HARMONIC 8.87301 0.5 AtomPair CA 24 CA 20 HARMONIC 6.48352 0.5 AtomPair CA 24 CA 21 HARMONIC 5.02355 0.5 AtomPair CA 24 CA 22 HARMONIC 5.45238 0.5 AtomPair CA 24 CA 23 HARMONIC 3.89284 0.5 AtomPair CA 25 CA 20 HARMONIC 8.76016 0.5 AtomPair CA 25 CA 21 HARMONIC 5.91158 0.5 AtomPair CA 25 CA 22 HARMONIC 4.97321 0.5 AtomPair CA 25 CA 23 HARMONIC 5.59453 0.5 AtomPair CA 25 CA 24 HARMONIC 3.84166 0.5 AtomPair CA 26 CA 21 HARMONIC 8.42622 0.5 AtomPair CA 26 CA 22 HARMONIC 6.08528 0.5 AtomPair CA 26 CA 23 HARMONIC 5.22415 0.5 AtomPair CA 26 CA 24 HARMONIC 5.34102 0.5 AtomPair CA 26 CA 25 HARMONIC 3.80459 0.5 AtomPair CA 27 CA 22 HARMONIC 8.92475 0.5 AtomPair CA 27 CA 23 HARMONIC 6.97185 0.5 AtomPair CA 27 CA 24 HARMONIC 5.3977 0.5 AtomPair CA 27 CA 25 HARMONIC 5.4039 0.5 AtomPair CA 27 CA 26 HARMONIC 3.85452 0.5 AtomPair CA 28 CA 24 HARMONIC 6.72021 0.5 AtomPair CA 28 CA 25 HARMONIC 5.243 0.5 AtomPair CA 28 CA 26 HARMONIC 5.74535 0.5 AtomPair CA 28 CA 27 HARMONIC 3.84307 0.5 AtomPair CA 29 CA 25 HARMONIC 7.47062 0.5 AtomPair CA 29 CA 26 HARMONIC 6.50647 0.5 AtomPair CA 29 CA 27 HARMONIC 5.58349 0.5 AtomPair CA 29 CA 28 HARMONIC 3.84066 0.5 AtomPair CA 30 CA 27 HARMONIC 8.36927 0.5 AtomPair CA 30 CA 28 HARMONIC 5.96911 0.5 AtomPair CA 30 CA 29 HARMONIC 3.75996 0.5 AtomPair CA 31 CA 29 HARMONIC 6.99706 0.5 AtomPair CA 31 CA 30 HARMONIC 3.78361 0.5 AtomPair CA 32 CA 30 HARMONIC 5.70628 0.5 AtomPair CA 32 CA 31 HARMONIC 3.7735 0.5 AtomPair CA 33 CA 30 HARMONIC 6.80598 0.5 AtomPair CA 33 CA 31 HARMONIC 6.14821 0.5 AtomPair CA 33 CA 32 HARMONIC 3.75663 0.5 AtomPair CA 34 CA 32 HARMONIC 6.90637 0.5 AtomPair CA 34 CA 33 HARMONIC 3.80464 0.5 AtomPair CA 35 CA 33 HARMONIC 6.60348 0.5 AtomPair CA 35 CA 34 HARMONIC 3.80302 0.5 AtomPair CA 36 CA 34 HARMONIC 5.94309 0.5 AtomPair CA 36 CA 35 HARMONIC 3.77561 0.5 AtomPair CA 37 CA 35 HARMONIC 7.15203 0.5 AtomPair CA 37 CA 36 HARMONIC 3.82726 0.5 AtomPair CA 38 CA 36 HARMONIC 6.38303 0.5 AtomPair CA 38 CA 37 HARMONIC 3.82045 0.5 AtomPair CA 39 CA 36 HARMONIC 8.43353 0.5 AtomPair CA 39 CA 37 HARMONIC 6.61229 0.5 AtomPair CA 39 CA 38 HARMONIC 3.8359 0.5 AtomPair CA 40 CA 38 HARMONIC 5.52916 0.5 AtomPair CA 40 CA 39 HARMONIC 3.82529 0.5 AtomPair CA 41 CA 38 HARMONIC 6.28377 0.5 AtomPair CA 41 CA 39 HARMONIC 6.31845 0.5 AtomPair CA 41 CA 40 HARMONIC 3.78152 0.5 AtomPair CA 42 CA 38 HARMONIC 8.82795 0.5 AtomPair CA 42 CA 40 HARMONIC 6.18382 0.5 AtomPair CA 42 CA 41 HARMONIC 3.85598 0.5 AtomPair CA 43 CA 40 HARMONIC 8.93628 0.5 AtomPair CA 43 CA 41 HARMONIC 5.46241 0.5 AtomPair CA 43 CA 42 HARMONIC 3.8289 0.5 AtomPair CA 44 CA 40 HARMONIC 8.0709 0.5 AtomPair CA 44 CA 41 HARMONIC 5.17444 0.5 AtomPair CA 44 CA 42 HARMONIC 5.32868 0.5 AtomPair CA 44 CA 43 HARMONIC 3.81884 0.5 AtomPair CA 45 CA 40 HARMONIC 7.83928 0.5 AtomPair CA 45 CA 41 HARMONIC 6.31309 0.5 AtomPair CA 45 CA 42 HARMONIC 5.03888 0.5 AtomPair CA 45 CA 43 HARMONIC 5.62374 0.5 AtomPair CA 45 CA 44 HARMONIC 3.80687 0.5 AtomPair CA 46 CA 41 HARMONIC 8.70541 0.5 AtomPair CA 46 CA 42 HARMONIC 6.05877 0.5 AtomPair CA 46 CA 43 HARMONIC 5.17353 0.5 AtomPair CA 46 CA 44 HARMONIC 5.39205 0.5 AtomPair CA 46 CA 45 HARMONIC 3.89737 0.5 AtomPair CA 47 CA 43 HARMONIC 7.01062 0.5 AtomPair CA 47 CA 44 HARMONIC 5.7071 0.5 AtomPair CA 47 CA 45 HARMONIC 5.54201 0.5 AtomPair CA 47 CA 46 HARMONIC 3.8525 0.5 AtomPair CA 48 CA 44 HARMONIC 6.99048 0.5 AtomPair CA 48 CA 45 HARMONIC 5.30923 0.5 AtomPair CA 48 CA 46 HARMONIC 5.69961 0.5 AtomPair CA 48 CA 47 HARMONIC 3.86256 0.5 AtomPair CA 49 CA 5 HARMONIC 8.05694 0.5 AtomPair CA 49 CA 45 HARMONIC 8.97763 0.5 AtomPair CA 49 CA 46 HARMONIC 8.53504 0.5 AtomPair CA 49 CA 47 HARMONIC 6.27889 0.5 AtomPair CA 49 CA 48 HARMONIC 3.82525 0.5 AtomPair CA 50 CA 3 HARMONIC 8.2472 0.5 AtomPair CA 50 CA 4 HARMONIC 6.22778 0.5 AtomPair CA 50 CA 5 HARMONIC 4.66344 0.5 AtomPair CA 50 CA 6 HARMONIC 8.35713 0.5 AtomPair CA 50 CA 48 HARMONIC 6.68185 0.5 AtomPair CA 50 CA 49 HARMONIC 3.79327 0.5 AtomPair CA 51 CA 4 HARMONIC 7.05674 0.5 AtomPair CA 51 CA 5 HARMONIC 4.22372 0.5 AtomPair CA 51 CA 6 HARMONIC 6.95481 0.5 AtomPair CA 51 CA 48 HARMONIC 8.29123 0.5 AtomPair CA 51 CA 49 HARMONIC 5.29486 0.5 AtomPair CA 51 CA 50 HARMONIC 3.80265 0.5 AtomPair CA 52 CA 4 HARMONIC 7.93694 0.5 AtomPair CA 52 CA 5 HARMONIC 6.73828 0.5 AtomPair CA 52 CA 48 HARMONIC 6.39637 0.5 AtomPair CA 52 CA 49 HARMONIC 5.19741 0.5 AtomPair CA 52 CA 50 HARMONIC 5.58899 0.5 AtomPair CA 52 CA 51 HARMONIC 3.85919 0.5 AtomPair CA 53 CA 3 HARMONIC 8.8817 0.5 AtomPair CA 53 CA 4 HARMONIC 5.28124 0.5 AtomPair CA 53 CA 5 HARMONIC 5.99116 0.5 AtomPair CA 53 CA 48 HARMONIC 6.42039 0.5 AtomPair CA 53 CA 49 HARMONIC 6.16638 0.5 AtomPair CA 53 CA 50 HARMONIC 5.23521 0.5 AtomPair CA 53 CA 51 HARMONIC 5.58362 0.5 AtomPair CA 53 CA 52 HARMONIC 3.79368 0.5 AtomPair CA 54 CA 3 HARMONIC 8.39985 0.5 AtomPair CA 54 CA 4 HARMONIC 4.74161 0.5 AtomPair CA 54 CA 5 HARMONIC 5.69498 0.5 AtomPair CA 54 CA 6 HARMONIC 7.45127 0.5 AtomPair CA 54 CA 7 HARMONIC 6.46384 0.5 AtomPair CA 54 CA 50 HARMONIC 7.67353 0.5 AtomPair CA 54 CA 51 HARMONIC 6.60762 0.5 AtomPair CA 54 CA 52 HARMONIC 5.53414 0.5 AtomPair CA 54 CA 53 HARMONIC 3.83624 0.5 AtomPair CA 55 CA 4 HARMONIC 8.49768 0.5 AtomPair CA 55 CA 5 HARMONIC 8.90904 0.5 AtomPair CA 55 CA 51 HARMONIC 8.22259 0.5 AtomPair CA 55 CA 52 HARMONIC 5.60022 0.5 AtomPair CA 55 CA 53 HARMONIC 5.54244 0.5 AtomPair CA 55 CA 54 HARMONIC 3.8023 0.5 AtomPair CA 56 CA 48 HARMONIC 8.59009 0.5 AtomPair CA 56 CA 52 HARMONIC 6.27522 0.5 AtomPair CA 56 CA 53 HARMONIC 5.14589 0.5 AtomPair CA 56 CA 54 HARMONIC 5.66312 0.5 AtomPair CA 56 CA 55 HARMONIC 3.7984 0.5 AtomPair CA 57 CA 4 HARMONIC 7.94894 0.5 AtomPair CA 57 CA 52 HARMONIC 8.56961 0.5 AtomPair CA 57 CA 53 HARMONIC 5.74516 0.5 AtomPair CA 57 CA 54 HARMONIC 5.53836 0.5 AtomPair CA 57 CA 55 HARMONIC 5.71957 0.5 AtomPair CA 57 CA 56 HARMONIC 3.82641 0.5 AtomPair CA 58 CA 53 HARMONIC 8.17078 0.5 AtomPair CA 58 CA 54 HARMONIC 6.08774 0.5 AtomPair CA 58 CA 55 HARMONIC 5.22697 0.5 AtomPair CA 58 CA 56 HARMONIC 5.35624 0.5 AtomPair CA 58 CA 57 HARMONIC 3.82069 0.5 AtomPair CA 59 CA 54 HARMONIC 8.57114 0.5 AtomPair CA 59 CA 55 HARMONIC 6.07001 0.5 AtomPair CA 59 CA 56 HARMONIC 5.01896 0.5 AtomPair CA 59 CA 57 HARMONIC 5.5127 0.5 AtomPair CA 59 CA 58 HARMONIC 3.8191 0.5 AtomPair CA 60 CA 55 HARMONIC 8.59979 0.5 AtomPair CA 60 CA 56 HARMONIC 5.98195 0.5 AtomPair CA 60 CA 57 HARMONIC 5.14234 0.5 AtomPair CA 60 CA 58 HARMONIC 5.55631 0.5 AtomPair CA 60 CA 59 HARMONIC 3.82877 0.5 AtomPair CA 61 CA 56 HARMONIC 8.4166 0.5 AtomPair CA 61 CA 57 HARMONIC 5.95863 0.5 AtomPair CA 61 CA 58 HARMONIC 5.28999 0.5 AtomPair CA 61 CA 59 HARMONIC 5.60607 0.5 AtomPair CA 61 CA 60 HARMONIC 3.80027 0.5 AtomPair CA 62 CA 57 HARMONIC 8.43374 0.5 AtomPair CA 62 CA 58 HARMONIC 6.10105 0.5 AtomPair CA 62 CA 59 HARMONIC 5.221 0.5 AtomPair CA 62 CA 60 HARMONIC 5.44539 0.5 AtomPair CA 62 CA 61 HARMONIC 3.83117 0.5 AtomPair CA 63 CA 58 HARMONIC 8.54806 0.5 AtomPair CA 63 CA 59 HARMONIC 6.1709 0.5 AtomPair CA 63 CA 60 HARMONIC 4.9808 0.5 AtomPair CA 63 CA 61 HARMONIC 5.32346 0.5 AtomPair CA 63 CA 62 HARMONIC 3.81805 0.5 AtomPair CA 64 CA 59 HARMONIC 8.80082 0.5 AtomPair CA 64 CA 60 HARMONIC 6.31233 0.5 AtomPair CA 64 CA 61 HARMONIC 5.08754 0.5 AtomPair CA 64 CA 62 HARMONIC 5.44788 0.5 AtomPair CA 64 CA 63 HARMONIC 3.81124 0.5 AtomPair CA 65 CA 60 HARMONIC 8.63191 0.5 AtomPair CA 65 CA 61 HARMONIC 6.10988 0.5 AtomPair CA 65 CA 62 HARMONIC 4.94061 0.5 AtomPair CA 65 CA 63 HARMONIC 5.45909 0.5 AtomPair CA 65 CA 64 HARMONIC 3.83148 0.5 AtomPair CA 66 CA 61 HARMONIC 8.48276 0.5 AtomPair CA 66 CA 62 HARMONIC 5.75307 0.5 AtomPair CA 66 CA 63 HARMONIC 5.22807 0.5 AtomPair CA 66 CA 64 HARMONIC 5.73582 0.5 AtomPair CA 66 CA 65 HARMONIC 3.82657 0.5 AtomPair CA 67 CA 62 HARMONIC 7.95336 0.5 AtomPair CA 67 CA 63 HARMONIC 5.35707 0.5 AtomPair CA 67 CA 64 HARMONIC 5.52009 0.5 AtomPair CA 67 CA 65 HARMONIC 5.95905 0.5 AtomPair CA 67 CA 66 HARMONIC 3.83713 0.5 AtomPair CA 68 CA 63 HARMONIC 6.5707 0.5 AtomPair CA 68 CA 64 HARMONIC 4.51061 0.5 AtomPair CA 68 CA 65 HARMONIC 6.31828 0.5 AtomPair CA 68 CA 66 HARMONIC 6.46856 0.5 AtomPair CA 68 CA 67 HARMONIC 3.82395 0.5 AtomPair CA 69 CA 63 HARMONIC 8.89456 0.5 AtomPair CA 69 CA 64 HARMONIC 6.00018 0.5 AtomPair CA 69 CA 65 HARMONIC 5.85043 0.5 AtomPair CA 69 CA 66 HARMONIC 6.9574 0.5 AtomPair CA 69 CA 67 HARMONIC 5.98177 0.5 AtomPair CA 69 CA 68 HARMONIC 3.81602 0.5 AtomPair CA 70 CA 64 HARMONIC 8.26463 0.5 AtomPair CA 70 CA 65 HARMONIC 7.21733 0.5 AtomPair CA 70 CA 66 HARMONIC 6.33142 0.5 AtomPair CA 70 CA 67 HARMONIC 5.3292 0.5 AtomPair CA 70 CA 68 HARMONIC 5.42054 0.5 AtomPair CA 70 CA 69 HARMONIC 3.79582 0.5 AtomPair CA 71 CA 66 HARMONIC 8.82294 0.5 AtomPair CA 71 CA 67 HARMONIC 6.08716 0.5 AtomPair CA 71 CA 68 HARMONIC 5.35016 0.5 AtomPair CA 71 CA 69 HARMONIC 5.501 0.5 AtomPair CA 71 CA 70 HARMONIC 3.8178 0.5 AtomPair CA 72 CA 67 HARMONIC 8.72925 0.5 AtomPair CA 72 CA 68 HARMONIC 6.30319 0.5 AtomPair CA 72 CA 69 HARMONIC 5.21161 0.5 AtomPair CA 72 CA 70 HARMONIC 5.65607 0.5 AtomPair CA 72 CA 71 HARMONIC 3.82019 0.5 AtomPair CA 73 CA 69 HARMONIC 8.18968 0.5 AtomPair CA 73 CA 70 HARMONIC 7.42213 0.5 AtomPair CA 73 CA 71 HARMONIC 5.80973 0.5 AtomPair CA 73 CA 72 HARMONIC 3.8022 0.5 AtomPair CA 74 CA 28 HARMONIC 8.62533 0.5 AtomPair CA 74 CA 71 HARMONIC 8.98506 0.5 AtomPair CA 74 CA 72 HARMONIC 5.68937 0.5 AtomPair CA 74 CA 73 HARMONIC 3.81036 0.5 AtomPair CA 75 CA 27 HARMONIC 8.72837 0.5 AtomPair CA 75 CA 69 HARMONIC 7.88522 0.5 AtomPair CA 75 CA 70 HARMONIC 8.97672 0.5 AtomPair CA 75 CA 72 HARMONIC 6.10965 0.5 AtomPair CA 75 CA 73 HARMONIC 5.56682 0.5 AtomPair CA 75 CA 74 HARMONIC 3.86683 0.5 AtomPair CA 76 CA 72 HARMONIC 8.85125 0.5 AtomPair CA 76 CA 73 HARMONIC 6.70282 0.5 AtomPair CA 76 CA 74 HARMONIC 5.35894 0.5 AtomPair CA 76 CA 75 HARMONIC 3.8521 0.5 AtomPair CA 77 CA 73 HARMONIC 8.09588 0.5 AtomPair CA 77 CA 74 HARMONIC 5.27422 0.5 AtomPair CA 77 CA 75 HARMONIC 5.73452 0.5 AtomPair CA 77 CA 76 HARMONIC 3.84971 0.5 AtomPair CA 78 CA 74 HARMONIC 8.65921 0.5 AtomPair CA 78 CA 75 HARMONIC 7.64356 0.5 AtomPair CA 78 CA 76 HARMONIC 5.43182 0.5 AtomPair CA 78 CA 77 HARMONIC 3.83566 0.5 AtomPair CA 79 CA 75 HARMONIC 8.73601 0.5 AtomPair CA 79 CA 76 HARMONIC 6.75869 0.5 AtomPair CA 79 CA 77 HARMONIC 7.10426 0.5 AtomPair CA 79 CA 78 HARMONIC 3.80413 0.5 AtomPair CA 80 CA 76 HARMONIC 8.87267 0.5 AtomPair CA 80 CA 77 HARMONIC 8.67131 0.5 AtomPair CA 80 CA 78 HARMONIC 5.7152 0.5 AtomPair CA 80 CA 79 HARMONIC 3.86157 0.5 AtomPair CA 81 CA 23 HARMONIC 8.5248 0.5 AtomPair CA 81 CA 24 HARMONIC 7.39058 0.5 AtomPair CA 81 CA 27 HARMONIC 6.78501 0.5 AtomPair CA 81 CA 74 HARMONIC 8.40734 0.5 AtomPair CA 81 CA 75 HARMONIC 5.93075 0.5 AtomPair CA 81 CA 76 HARMONIC 6.66361 0.5 AtomPair CA 81 CA 77 HARMONIC 6.63463 0.5 AtomPair CA 81 CA 78 HARMONIC 5.45058 0.5 AtomPair CA 81 CA 79 HARMONIC 5.40462 0.5 AtomPair CA 81 CA 80 HARMONIC 3.82126 0.5 AtomPair CA 82 CA 74 HARMONIC 8.58871 0.5 AtomPair CA 82 CA 75 HARMONIC 5.08238 0.5 AtomPair CA 82 CA 76 HARMONIC 5.19991 0.5 AtomPair CA 82 CA 77 HARMONIC 7.27974 0.5 AtomPair CA 82 CA 78 HARMONIC 6.35178 0.5 AtomPair CA 82 CA 79 HARMONIC 5.04764 0.5 AtomPair CA 82 CA 80 HARMONIC 5.50572 0.5 AtomPair CA 82 CA 81 HARMONIC 3.7906 0.5 AtomPair CA 83 CA 75 HARMONIC 8.62125 0.5 AtomPair CA 83 CA 76 HARMONIC 8.95805 0.5 AtomPair CA 83 CA 78 HARMONIC 8.79007 0.5 AtomPair CA 83 CA 79 HARMONIC 6.09692 0.5 AtomPair CA 83 CA 80 HARMONIC 5.08191 0.5 AtomPair CA 83 CA 81 HARMONIC 5.39511 0.5 AtomPair CA 83 CA 82 HARMONIC 3.82798 0.5 AtomPair CA 84 CA 20 HARMONIC 6.70383 0.5 AtomPair CA 84 CA 21 HARMONIC 8.22105 0.5 AtomPair CA 84 CA 23 HARMONIC 6.0479 0.5 AtomPair CA 84 CA 24 HARMONIC 5.60594 0.5 AtomPair CA 84 CA 27 HARMONIC 8.6728 0.5 AtomPair CA 84 CA 75 HARMONIC 8.49909 0.5 AtomPair CA 84 CA 79 HARMONIC 8.64319 0.5 AtomPair CA 84 CA 80 HARMONIC 6.26193 0.5 AtomPair CA 84 CA 81 HARMONIC 5.13098 0.5 AtomPair CA 84 CA 82 HARMONIC 5.45106 0.5 AtomPair CA 84 CA 83 HARMONIC 3.82387 0.5 AtomPair CA 85 CA 20 HARMONIC 7.91374 0.5 AtomPair CA 85 CA 21 HARMONIC 8.38569 0.5 AtomPair CA 85 CA 23 HARMONIC 8.27089 0.5 AtomPair CA 85 CA 24 HARMONIC 5.92035 0.5 AtomPair CA 85 CA 69 HARMONIC 7.89105 0.5 AtomPair CA 85 CA 75 HARMONIC 6.46228 0.5 AtomPair CA 85 CA 80 HARMONIC 8.79516 0.5 AtomPair CA 85 CA 81 HARMONIC 6.36361 0.5 AtomPair CA 85 CA 82 HARMONIC 5.17687 0.5 AtomPair CA 85 CA 83 HARMONIC 5.47491 0.5 AtomPair CA 85 CA 84 HARMONIC 3.81691 0.5 AtomPair CA 86 CA 75 HARMONIC 8.84025 0.5 AtomPair CA 86 CA 81 HARMONIC 8.57466 0.5 AtomPair CA 86 CA 82 HARMONIC 6.03571 0.5 AtomPair CA 86 CA 83 HARMONIC 4.92893 0.5 AtomPair CA 86 CA 84 HARMONIC 5.42891 0.5 AtomPair CA 86 CA 85 HARMONIC 3.81927 0.5 AtomPair CA 87 CA 17 HARMONIC 8.98875 0.5 AtomPair CA 87 CA 20 HARMONIC 6.18178 0.5 AtomPair CA 87 CA 21 HARMONIC 8.82703 0.5 AtomPair CA 87 CA 24 HARMONIC 8.98442 0.5 AtomPair CA 87 CA 82 HARMONIC 8.61846 0.5 AtomPair CA 87 CA 83 HARMONIC 6.08617 0.5 AtomPair CA 87 CA 84 HARMONIC 5.24557 0.5 AtomPair CA 87 CA 85 HARMONIC 5.51195 0.5 AtomPair CA 87 CA 86 HARMONIC 3.80194 0.5 AtomPair CA 88 CA 16 HARMONIC 8.56785 0.5 AtomPair CA 88 CA 17 HARMONIC 6.73032 0.5 AtomPair CA 88 CA 18 HARMONIC 8.90812 0.5 AtomPair CA 88 CA 19 HARMONIC 8.7329 0.5 AtomPair CA 88 CA 20 HARMONIC 5.06546 0.5 AtomPair CA 88 CA 21 HARMONIC 6.31729 0.5 AtomPair CA 88 CA 23 HARMONIC 8.83348 0.5 AtomPair CA 88 CA 24 HARMONIC 7.60553 0.5 AtomPair CA 88 CA 83 HARMONIC 8.72274 0.5 AtomPair CA 88 CA 84 HARMONIC 6.54039 0.5 AtomPair CA 88 CA 85 HARMONIC 5.32454 0.5 AtomPair CA 88 CA 86 HARMONIC 5.44687 0.5 AtomPair CA 88 CA 87 HARMONIC 3.80379 0.5 AtomPair CA 89 CA 20 HARMONIC 8.89143 0.5 AtomPair CA 89 CA 61 HARMONIC 8.99752 0.5 AtomPair CA 89 CA 64 HARMONIC 8.19215 0.5 AtomPair CA 89 CA 65 HARMONIC 6.61814 0.5 AtomPair CA 89 CA 69 HARMONIC 7.83017 0.5 AtomPair CA 89 CA 84 HARMONIC 8.7914 0.5 AtomPair CA 89 CA 85 HARMONIC 6.22055 0.5 AtomPair CA 89 CA 86 HARMONIC 5.04376 0.5 AtomPair CA 89 CA 87 HARMONIC 5.53166 0.5 AtomPair CA 89 CA 88 HARMONIC 3.82952 0.5 AtomPair CA 90 CA 85 HARMONIC 8.56035 0.5 AtomPair CA 90 CA 86 HARMONIC 5.89567 0.5 AtomPair CA 90 CA 87 HARMONIC 5.07069 0.5 AtomPair CA 90 CA 88 HARMONIC 5.40898 0.5 AtomPair CA 90 CA 89 HARMONIC 3.82436 0.5 AtomPair CA 91 CA 11 HARMONIC 8.38577 0.5 AtomPair CA 91 CA 12 HARMONIC 6.41264 0.5 AtomPair CA 91 CA 13 HARMONIC 8.96803 0.5 AtomPair CA 91 CA 16 HARMONIC 7.58031 0.5 AtomPair CA 91 CA 17 HARMONIC 6.60723 0.5 AtomPair CA 91 CA 20 HARMONIC 8.23007 0.5 AtomPair CA 91 CA 86 HARMONIC 8.60001 0.5 AtomPair CA 91 CA 87 HARMONIC 6.41712 0.5 AtomPair CA 91 CA 88 HARMONIC 5.24619 0.5 AtomPair CA 91 CA 89 HARMONIC 5.38547 0.5 AtomPair CA 91 CA 90 HARMONIC 3.80935 0.5 AtomPair CA 92 CA 12 HARMONIC 8.46209 0.5 AtomPair CA 92 CA 17 HARMONIC 8.23422 0.5 AtomPair CA 92 CA 61 HARMONIC 6.1846 0.5 AtomPair CA 92 CA 62 HARMONIC 8.31274 0.5 AtomPair CA 92 CA 64 HARMONIC 8.42573 0.5 AtomPair CA 92 CA 65 HARMONIC 7.52509 0.5 AtomPair CA 92 CA 87 HARMONIC 8.86004 0.5 AtomPair CA 92 CA 88 HARMONIC 6.50536 0.5 AtomPair CA 92 CA 89 HARMONIC 5.00736 0.5 AtomPair CA 92 CA 90 HARMONIC 5.40653 0.5 AtomPair CA 92 CA 91 HARMONIC 3.81615 0.5 AtomPair CA 93 CA 61 HARMONIC 7.8203 0.5 AtomPair CA 93 CA 62 HARMONIC 8.29679 0.5 AtomPair CA 93 CA 65 HARMONIC 7.66986 0.5 AtomPair CA 93 CA 88 HARMONIC 8.83265 0.5 AtomPair CA 93 CA 89 HARMONIC 6.19362 0.5 AtomPair CA 93 CA 90 HARMONIC 5.03009 0.5 AtomPair CA 93 CA 91 HARMONIC 5.41231 0.5 AtomPair CA 93 CA 92 HARMONIC 3.82269 0.5 AtomPair CA 94 CA 9 HARMONIC 8.63133 0.5 AtomPair CA 94 CA 10 HARMONIC 8.98495 0.5 AtomPair CA 94 CA 11 HARMONIC 6.19194 0.5 AtomPair CA 94 CA 12 HARMONIC 6.81091 0.5 AtomPair CA 94 CA 89 HARMONIC 8.66903 0.5 AtomPair CA 94 CA 90 HARMONIC 6.20321 0.5 AtomPair CA 94 CA 91 HARMONIC 5.1749 0.5 AtomPair CA 94 CA 92 HARMONIC 5.51469 0.5 AtomPair CA 94 CA 93 HARMONIC 3.76119 0.5 AtomPair CA 95 CA 9 HARMONIC 6.18098 0.5 AtomPair CA 95 CA 10 HARMONIC 7.92904 0.5 AtomPair CA 95 CA 11 HARMONIC 6.66046 0.5 AtomPair CA 95 CA 12 HARMONIC 6.47484 0.5 AtomPair CA 95 CA 58 HARMONIC 8.27486 0.5 AtomPair CA 95 CA 61 HARMONIC 8.38259 0.5 AtomPair CA 95 CA 90 HARMONIC 8.73152 0.5 AtomPair CA 95 CA 91 HARMONIC 6.42561 0.5 AtomPair CA 95 CA 92 HARMONIC 5.23251 0.5 AtomPair CA 95 CA 93 HARMONIC 5.34817 0.5 AtomPair CA 95 CA 94 HARMONIC 3.83768 0.5 AtomPair CA 96 CA 9 HARMONIC 8.47785 0.5 AtomPair CA 96 CA 57 HARMONIC 8.39616 0.5 AtomPair CA 96 CA 58 HARMONIC 6.00433 0.5 AtomPair CA 96 CA 61 HARMONIC 7.02409 0.5 AtomPair CA 96 CA 62 HARMONIC 7.55895 0.5 AtomPair CA 96 CA 91 HARMONIC 8.79691 0.5 AtomPair CA 96 CA 92 HARMONIC 6.30303 0.5 AtomPair CA 96 CA 93 HARMONIC 5.02458 0.5 AtomPair CA 96 CA 94 HARMONIC 5.5335 0.5 AtomPair CA 96 CA 95 HARMONIC 3.8306 0.5 AtomPair CA 97 CA 9 HARMONIC 8.60289 0.5 AtomPair CA 97 CA 11 HARMONIC 8.88672 0.5 AtomPair CA 97 CA 92 HARMONIC 8.6212 0.5 AtomPair CA 97 CA 93 HARMONIC 5.94009 0.5 AtomPair CA 97 CA 94 HARMONIC 5.00553 0.5 AtomPair CA 97 CA 95 HARMONIC 5.39783 0.5 AtomPair CA 97 CA 96 HARMONIC 3.84121 0.5 AtomPair CA 98 CA 7 HARMONIC 7.50629 0.5 AtomPair CA 98 CA 8 HARMONIC 7.31351 0.5 AtomPair CA 98 CA 9 HARMONIC 5.60344 0.5 AtomPair CA 98 CA 10 HARMONIC 7.86279 0.5 AtomPair CA 98 CA 11 HARMONIC 8.11786 0.5 AtomPair CA 98 CA 93 HARMONIC 8.8452 0.5 AtomPair CA 98 CA 94 HARMONIC 6.96188 0.5 AtomPair CA 98 CA 95 HARMONIC 5.5859 0.5 AtomPair CA 98 CA 96 HARMONIC 5.21684 0.5 AtomPair CA 98 CA 97 HARMONIC 3.84207 0.5 AtomPair CA 99 CA 4 HARMONIC 8.41239 0.5 AtomPair CA 99 CA 7 HARMONIC 6.40389 0.5 AtomPair CA 99 CA 8 HARMONIC 7.93021 0.5 AtomPair CA 99 CA 9 HARMONIC 7.16702 0.5 AtomPair CA 99 CA 54 HARMONIC 6.71136 0.5 AtomPair CA 99 CA 55 HARMONIC 8.0947 0.5 AtomPair CA 99 CA 57 HARMONIC 8.35509 0.5 AtomPair CA 99 CA 58 HARMONIC 6.12597 0.5 AtomPair CA 99 CA 95 HARMONIC 6.49498 0.5 AtomPair CA 99 CA 96 HARMONIC 4.68967 0.5 AtomPair CA 99 CA 97 HARMONIC 5.76891 0.5 AtomPair CA 99 CA 98 HARMONIC 3.86753 0.5 AtomPair CA 100 CA 58 HARMONIC 7.21898 0.5 AtomPair CA 100 CA 95 HARMONIC 8.8597 0.5 AtomPair CA 100 CA 96 HARMONIC 5.6917 0.5 AtomPair CA 100 CA 97 HARMONIC 5.73509 0.5 AtomPair CA 100 CA 98 HARMONIC 5.73498 0.5 AtomPair CA 100 CA 99 HARMONIC 3.85086 0.5 AtomPair CA 101 CA 7 HARMONIC 8.84338 0.5 AtomPair CA 101 CA 96 HARMONIC 8.59597 0.5 AtomPair CA 101 CA 97 HARMONIC 7.19486 0.5 AtomPair CA 101 CA 98 HARMONIC 5.94062 0.5 AtomPair CA 101 CA 99 HARMONIC 5.57225 0.5 AtomPair CA 101 CA 100 HARMONIC 3.85363 0.5 AtomPair CA 102 CA 6 HARMONIC 7.83311 0.5 AtomPair CA 102 CA 7 HARMONIC 5.94712 0.5 AtomPair CA 102 CA 8 HARMONIC 8.77711 0.5 AtomPair CA 102 CA 54 HARMONIC 8.04204 0.5 AtomPair CA 102 CA 98 HARMONIC 6.93514 0.5 AtomPair CA 102 CA 99 HARMONIC 5.12932 0.5 AtomPair CA 102 CA 100 HARMONIC 5.42347 0.5 AtomPair CA 102 CA 101 HARMONIC 3.85354 0.5 AtomPair CA 103 CA 7 HARMONIC 8.79065 0.5 AtomPair CA 103 CA 54 HARMONIC 8.01072 0.5 AtomPair CA 103 CA 55 HARMONIC 7.36425 0.5 AtomPair CA 103 CA 58 HARMONIC 8.62465 0.5 AtomPair CA 103 CA 99 HARMONIC 6.35937 0.5 AtomPair CA 103 CA 100 HARMONIC 5.11193 0.5 AtomPair CA 103 CA 101 HARMONIC 5.37116 0.5 AtomPair CA 103 CA 102 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7.65614 0.5 AtomPair CA 109 CA 55 HARMONIC 6.60498 0.5 AtomPair CA 109 CA 103 HARMONIC 8.33429 0.5 AtomPair CA 109 CA 106 HARMONIC 7.72654 0.5 AtomPair CA 109 CA 107 HARMONIC 6.88675 0.5 AtomPair CA 109 CA 108 HARMONIC 3.82961 0.5 AtomPair CA 110 CA 51 HARMONIC 8.64303 0.5 AtomPair CA 110 CA 52 HARMONIC 6.25882 0.5 AtomPair CA 110 CA 54 HARMONIC 8.61161 0.5 AtomPair CA 110 CA 55 HARMONIC 5.92332 0.5 AtomPair CA 110 CA 56 HARMONIC 8.00279 0.5 AtomPair CA 110 CA 108 HARMONIC 6.72836 0.5 AtomPair CA 110 CA 109 HARMONIC 3.86046 0.5 AtomPair CA 111 CA 52 HARMONIC 7.77289 0.5 AtomPair CA 111 CA 109 HARMONIC 6.21343 0.5 AtomPair CA 111 CA 110 HARMONIC 3.80133 0.5 AtomPair CA 112 CA 110 HARMONIC 6.54293 0.5 AtomPair CA 112 CA 111 HARMONIC 3.79154 0.5 AtomPair CA 113 CA 110 HARMONIC 7.92704 0.5 AtomPair CA 113 CA 111 HARMONIC 5.38738 0.5 AtomPair CA 113 CA 112 HARMONIC 3.88533 0.5 AtomPair CA 114 CA 48 HARMONIC 8.20373 0.5 AtomPair CA 114 CA 52 HARMONIC 6.60205 0.5 AtomPair CA 114 CA 53 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112 HARMONIC 8.92622 0.5 AtomPair CA 117 CA 113 HARMONIC 6.38165 0.5 AtomPair CA 117 CA 114 HARMONIC 5.29398 0.5 AtomPair CA 117 CA 115 HARMONIC 5.49927 0.5 AtomPair CA 117 CA 116 HARMONIC 3.82949 0.5 AtomPair CA 118 CA 56 HARMONIC 6.83259 0.5 AtomPair CA 118 CA 59 HARMONIC 7.4188 0.5 AtomPair CA 118 CA 60 HARMONIC 7.32829 0.5 AtomPair CA 118 CA 113 HARMONIC 8.94661 0.5 AtomPair CA 118 CA 114 HARMONIC 6.70562 0.5 AtomPair CA 118 CA 115 HARMONIC 5.2967 0.5 AtomPair CA 118 CA 116 HARMONIC 5.41663 0.5 AtomPair CA 118 CA 117 HARMONIC 3.81975 0.5 AtomPair CA 119 CA 114 HARMONIC 8.81049 0.5 AtomPair CA 119 CA 115 HARMONIC 6.19499 0.5 AtomPair CA 119 CA 116 HARMONIC 4.87485 0.5 AtomPair CA 119 CA 117 HARMONIC 5.46158 0.5 AtomPair CA 119 CA 118 HARMONIC 3.8388 0.5 AtomPair CA 120 CA 39 HARMONIC 8.31775 0.5 AtomPair CA 120 CA 40 HARMONIC 8.64313 0.5 AtomPair CA 120 CA 115 HARMONIC 8.72781 0.5 AtomPair CA 120 CA 116 HARMONIC 6.10272 0.5 AtomPair CA 120 CA 117 HARMONIC 5.15729 0.5 AtomPair CA 120 CA 118 HARMONIC 5.39891 0.5 AtomPair CA 120 CA 119 HARMONIC 3.85214 0.5 AtomPair CA 121 CA 39 HARMONIC 5.56449 0.5 AtomPair CA 121 CA 40 HARMONIC 5.9437 0.5 AtomPair CA 121 CA 41 HARMONIC 7.95669 0.5 AtomPair CA 121 CA 60 HARMONIC 8.925 0.5 AtomPair CA 121 CA 116 HARMONIC 8.76444 0.5 AtomPair CA 121 CA 117 HARMONIC 6.74239 0.5 AtomPair CA 121 CA 118 HARMONIC 5.2366 0.5 AtomPair CA 121 CA 119 HARMONIC 5.30587 0.5 AtomPair CA 121 CA 120 HARMONIC 3.81462 0.5 AtomPair CA 122 CA 39 HARMONIC 8.01595 0.5 AtomPair CA 122 CA 63 HARMONIC 8.64084 0.5 AtomPair CA 122 CA 117 HARMONIC 8.88665 0.5 AtomPair CA 122 CA 118 HARMONIC 6.27863 0.5 AtomPair CA 122 CA 119 HARMONIC 4.79484 0.5 AtomPair CA 122 CA 120 HARMONIC 5.53515 0.5 AtomPair CA 122 CA 121 HARMONIC 3.80403 0.5 AtomPair CA 123 CA 39 HARMONIC 8.66617 0.5 AtomPair CA 123 CA 118 HARMONIC 8.68423 0.5 AtomPair CA 123 CA 119 HARMONIC 5.87517 0.5 AtomPair CA 123 CA 120 HARMONIC 5.25538 0.5 AtomPair CA 123 CA 121 HARMONIC 5.50827 0.5 AtomPair CA 123 CA 122 HARMONIC 3.82766 0.5 AtomPair CA 124 CA 37 HARMONIC 8.74282 0.5 AtomPair CA 124 CA 38 HARMONIC 8.19895 0.5 AtomPair CA 124 CA 39 HARMONIC 5.48606 0.5 AtomPair CA 124 CA 40 HARMONIC 8.48543 0.5 AtomPair CA 124 CA 119 HARMONIC 8.42208 0.5 AtomPair CA 124 CA 120 HARMONIC 6.31378 0.5 AtomPair CA 124 CA 121 HARMONIC 5.18254 0.5 AtomPair CA 124 CA 122 HARMONIC 5.42756 0.5 AtomPair CA 124 CA 123 HARMONIC 3.83845 0.5 AtomPair CA 125 CA 39 HARMONIC 6.10276 0.5 AtomPair CA 125 CA 120 HARMONIC 8.70414 0.5 AtomPair CA 125 CA 121 HARMONIC 6.17695 0.5 AtomPair CA 125 CA 122 HARMONIC 5.02079 0.5 AtomPair CA 125 CA 123 HARMONIC 5.46949 0.5 AtomPair CA 125 CA 124 HARMONIC 3.80854 0.5 AtomPair CA 126 CA 121 HARMONIC 8.69323 0.5 AtomPair CA 126 CA 122 HARMONIC 6.17444 0.5 AtomPair CA 126 CA 123 HARMONIC 5.20091 0.5 AtomPair CA 126 CA 124 HARMONIC 5.47008 0.5 AtomPair CA 126 CA 125 HARMONIC 3.79222 0.5 AtomPair CA 127 CA 122 HARMONIC 8.83243 0.5 AtomPair CA 127 CA 123 HARMONIC 6.5172 0.5 AtomPair CA 127 CA 124 HARMONIC 5.32747 0.5 AtomPair CA 127 CA 125 HARMONIC 5.54155 0.5 AtomPair CA 127 CA 126 HARMONIC 3.89766 0.5 AtomPair CA 128 CA 34 HARMONIC 8.75072 0.5 AtomPair CA 128 CA 124 HARMONIC 7.66017 0.5 AtomPair CA 128 CA 125 HARMONIC 6.24806 0.5 AtomPair CA 128 CA 126 HARMONIC 5.45864 0.5 AtomPair CA 128 CA 127 HARMONIC 3.79438 0.5 AtomPair CA 129 CA 125 HARMONIC 8.55733 0.5 AtomPair CA 129 CA 126 HARMONIC 7.1566 0.5 AtomPair CA 129 CA 127 HARMONIC 6.91475 0.5 AtomPair CA 129 CA 128 HARMONIC 3.78218 0.5 AtomPair CA 130 CA 67 HARMONIC 8.80862 0.5 AtomPair CA 130 CA 68 HARMONIC 8.30293 0.5 AtomPair CA 130 CA 71 HARMONIC 6.45122 0.5 AtomPair CA 130 CA 72 HARMONIC 8.34069 0.5 AtomPair CA 130 CA 125 HARMONIC 7.67249 0.5 AtomPair CA 130 CA 126 HARMONIC 6.81726 0.5 AtomPair CA 130 CA 127 HARMONIC 8.46173 0.5 AtomPair CA 130 CA 128 HARMONIC 6.02924 0.5 AtomPair CA 130 CA 129 HARMONIC 3.82978 0.5 AtomPair CA 131 CA 68 HARMONIC 8.49887 0.5 AtomPair CA 131 CA 71 HARMONIC 5.62051 0.5 AtomPair CA 131 CA 72 HARMONIC 5.81269 0.5 AtomPair CA 131 CA 73 HARMONIC 7.12929 0.5 AtomPair CA 131 CA 128 HARMONIC 8.07272 0.5 AtomPair CA 131 CA 129 HARMONIC 5.56662 0.5 AtomPair CA 131 CA 130 HARMONIC 3.83066 0.5 AtomPair CA 132 CA 33 HARMONIC 7.69595 0.5 AtomPair CA 132 CA 34 HARMONIC 7.10727 0.5 AtomPair CA 132 CA 71 HARMONIC 8.86686 0.5 AtomPair CA 132 CA 72 HARMONIC 8.19271 0.5 AtomPair CA 132 CA 128 HARMONIC 6.28607 0.5 AtomPair CA 132 CA 129 HARMONIC 5.36575 0.5 AtomPair CA 132 CA 130 HARMONIC 5.52754 0.5 AtomPair CA 132 CA 131 HARMONIC 3.83171 0.5 AtomPair CA 133 CA 34 HARMONIC 8.72309 0.5 AtomPair CA 133 CA 39 HARMONIC 8.68371 0.5 AtomPair CA 133 CA 68 HARMONIC 7.78482 0.5 AtomPair CA 133 CA 71 HARMONIC 8.48593 0.5 AtomPair CA 133 CA 72 HARMONIC 8.68635 0.5 AtomPair CA 133 CA 124 HARMONIC 8.65923 0.5 AtomPair CA 133 CA 125 HARMONIC 5.52912 0.5 AtomPair CA 133 CA 126 HARMONIC 7.10573 0.5 AtomPair CA 133 CA 127 HARMONIC 7.87991 0.5 AtomPair CA 133 CA 128 HARMONIC 5.36911 0.5 AtomPair CA 133 CA 129 HARMONIC 5.91966 0.5 AtomPair CA 133 CA 130 HARMONIC 4.82939 0.5 AtomPair CA 133 CA 131 HARMONIC 5.41174 0.5 AtomPair CA 133 CA 132 HARMONIC 3.82113 0.5 AtomPair CA 134 CA 64 HARMONIC 8.53083 0.5 AtomPair CA 134 CA 67 HARMONIC 7.70172 0.5 AtomPair CA 134 CA 68 HARMONIC 4.72046 0.5 AtomPair CA 134 CA 69 HARMONIC 6.92797 0.5 AtomPair CA 134 CA 70 HARMONIC 8.30943 0.5 AtomPair CA 134 CA 71 HARMONIC 5.88175 0.5 AtomPair CA 134 CA 72 HARMONIC 5.4614 0.5 AtomPair CA 134 CA 73 HARMONIC 8.8922 0.5 AtomPair CA 134 CA 125 HARMONIC 7.86988 0.5 AtomPair CA 134 CA 129 HARMONIC 8.51969 0.5 AtomPair CA 134 CA 130 HARMONIC 5.91335 0.5 AtomPair CA 134 CA 131 HARMONIC 5.15324 0.5 AtomPair CA 134 CA 132 HARMONIC 5.43368 0.5 AtomPair CA 134 CA 133 HARMONIC 3.80578 0.5 AtomPair CA 135 CA 28 HARMONIC 7.53282 0.5 AtomPair CA 135 CA 33 HARMONIC 8.4469 0.5 AtomPair CA 135 CA 68 HARMONIC 7.87587 0.5 AtomPair CA 135 CA 69 HARMONIC 8.8806 0.5 AtomPair CA 135 CA 71 HARMONIC 8.46159 0.5 AtomPair CA 135 CA 72 HARMONIC 6.24278 0.5 AtomPair CA 135 CA 74 HARMONIC 8.99775 0.5 AtomPair CA 135 CA 130 HARMONIC 8.50144 0.5 AtomPair CA 135 CA 131 HARMONIC 6.28758 0.5 AtomPair CA 135 CA 132 HARMONIC 5.02894 0.5 AtomPair CA 135 CA 133 HARMONIC 5.43123 0.5 AtomPair CA 135 CA 134 HARMONIC 3.83085 0.5 AtomPair CA 136 CA 33 HARMONIC 8.12665 0.5 AtomPair CA 136 CA 34 HARMONIC 7.66366 0.5 AtomPair CA 136 CA 38 HARMONIC 8.37474 0.5 AtomPair CA 136 CA 39 HARMONIC 7.88965 0.5 AtomPair CA 136 CA 125 HARMONIC 8.56709 0.5 AtomPair CA 136 CA 131 HARMONIC 8.70584 0.5 AtomPair CA 136 CA 132 HARMONIC 6.15799 0.5 AtomPair CA 136 CA 133 HARMONIC 5.10433 0.5 AtomPair CA 136 CA 134 HARMONIC 5.45081 0.5 AtomPair CA 136 CA 135 HARMONIC 3.80585 0.5 AtomPair CA 137 CA 38 HARMONIC 8.70551 0.5 AtomPair CA 137 CA 39 HARMONIC 6.89273 0.5 AtomPair CA 137 CA 40 HARMONIC 8.00073 0.5 AtomPair CA 137 CA 64 HARMONIC 8.04836 0.5 AtomPair CA 137 CA 68 HARMONIC 6.866 0.5 AtomPair CA 137 CA 125 HARMONIC 7.60805 0.5 AtomPair CA 137 CA 132 HARMONIC 8.56153 0.5 AtomPair CA 137 CA 133 HARMONIC 6.01637 0.5 AtomPair CA 137 CA 134 HARMONIC 5.06965 0.5 AtomPair CA 137 CA 135 HARMONIC 5.58474 0.5 AtomPair CA 137 CA 136 HARMONIC 3.84126 0.5 AtomPair CA 138 CA 21 HARMONIC 8.86382 0.5 AtomPair CA 138 CA 24 HARMONIC 8.27717 0.5 AtomPair CA 138 CA 25 HARMONIC 7.7627 0.5 AtomPair CA 138 CA 28 HARMONIC 8.27544 0.5 AtomPair CA 138 CA 64 HARMONIC 8.24412 0.5 AtomPair CA 138 CA 68 HARMONIC 7.26652 0.5 AtomPair CA 138 CA 69 HARMONIC 7.97686 0.5 AtomPair CA 138 CA 72 HARMONIC 8.56911 0.5 AtomPair CA 138 CA 133 HARMONIC 8.56185 0.5 AtomPair CA 138 CA 134 HARMONIC 6.16426 0.5 AtomPair CA 138 CA 135 HARMONIC 5.31738 0.5 AtomPair CA 138 CA 136 HARMONIC 5.42137 0.5 AtomPair CA 138 CA 137 HARMONIC 3.81437 0.5 AtomPair CA 139 CA 24 HARMONIC 8.77372 0.5 AtomPair CA 139 CA 25 HARMONIC 6.53981 0.5 AtomPair CA 139 CA 28 HARMONIC 7.46806 0.5 AtomPair CA 139 CA 134 HARMONIC 8.66963 0.5 AtomPair CA 139 CA 135 HARMONIC 6.46229 0.5 AtomPair CA 139 CA 136 HARMONIC 5.10747 0.5 AtomPair CA 139 CA 137 HARMONIC 5.39261 0.5 AtomPair CA 139 CA 138 HARMONIC 3.79046 0.5 AtomPair CA 140 CA 38 HARMONIC 7.82575 0.5 AtomPair CA 140 CA 39 HARMONIC 7.71615 0.5 AtomPair CA 140 CA 40 HARMONIC 7.0189 0.5 AtomPair CA 140 CA 135 HARMONIC 8.93106 0.5 AtomPair CA 140 CA 136 HARMONIC 6.42989 0.5 AtomPair CA 140 CA 137 HARMONIC 5.03105 0.5 AtomPair CA 140 CA 138 HARMONIC 5.30985 0.5 AtomPair CA 140 CA 139 HARMONIC 3.83482 0.5 AtomPair CA 141 CA 21 HARMONIC 7.23286 0.5 AtomPair CA 141 CA 25 HARMONIC 8.85488 0.5 AtomPair CA 141 CA 40 HARMONIC 8.92624 0.5 AtomPair CA 141 CA 137 HARMONIC 6.67151 0.5 AtomPair CA 141 CA 138 HARMONIC 5.39417 0.5 AtomPair CA 141 CA 139 HARMONIC 5.60278 0.5 AtomPair CA 141 CA 140 HARMONIC 3.80965 0.5 AtomPair CA 142 CA 18 HARMONIC 7.88674 0.5 AtomPair CA 142 CA 21 HARMONIC 7.46902 0.5 AtomPair CA 142 CA 22 HARMONIC 8.86016 0.5 AtomPair CA 142 CA 138 HARMONIC 8.54821 0.5 AtomPair CA 142 CA 139 HARMONIC 7.13606 0.5 AtomPair CA 142 CA 140 HARMONIC 5.2852 0.5 AtomPair CA 142 CA 141 HARMONIC 3.82612 0.5 AtomPair CA 143 CA 40 HARMONIC 6.98997 0.5 AtomPair CA 143 CA 41 HARMONIC 8.0857 0.5 AtomPair CA 143 CA 42 HARMONIC 6.35264 0.5 AtomPair CA 143 CA 45 HARMONIC 8.95277 0.5 AtomPair CA 143 CA 139 HARMONIC 8.66072 0.5 AtomPair CA 143 CA 140 HARMONIC 5.27968 0.5 AtomPair CA 143 CA 141 HARMONIC 5.25484 0.5 AtomPair CA 143 CA 142 HARMONIC 3.84228 0.5 AtomPair CA 144 CA 40 HARMONIC 7.44655 0.5 AtomPair CA 144 CA 42 HARMONIC 8.07412 0.5 AtomPair CA 144 CA 45 HARMONIC 8.44784 0.5 AtomPair CA 144 CA 57 HARMONIC 8.6781 0.5 AtomPair CA 144 CA 60 HARMONIC 8.56073 0.5 AtomPair CA 144 CA 140 HARMONIC 6.69075 0.5 AtomPair CA 144 CA 141 HARMONIC 4.86424 0.5 AtomPair CA 144 CA 142 HARMONIC 5.42866 0.5 AtomPair CA 144 CA 143 HARMONIC 3.78899 0.5 AtomPair CA 145 CA 14 HARMONIC 7.54854 0.5 AtomPair CA 145 CA 17 HARMONIC 7.26265 0.5 AtomPair CA 145 CA 18 HARMONIC 7.48243 0.5 AtomPair CA 145 CA 21 HARMONIC 8.93144 0.5 AtomPair CA 145 CA 140 HARMONIC 8.86808 0.5 AtomPair CA 145 CA 141 HARMONIC 5.98664 0.5 AtomPair CA 145 CA 142 HARMONIC 5.09934 0.5 AtomPair CA 145 CA 143 HARMONIC 5.58749 0.5 AtomPair CA 145 CA 144 HARMONIC 3.82452 0.5 AtomPair CA 146 CA 14 HARMONIC 8.88446 0.5 AtomPair CA 146 CA 42 HARMONIC 8.75933 0.5 AtomPair CA 146 CA 141 HARMONIC 8.36655 0.5 AtomPair CA 146 CA 142 HARMONIC 5.89657 0.5 AtomPair CA 146 CA 143 HARMONIC 5.25785 0.5 AtomPair CA 146 CA 144 HARMONIC 5.58713 0.5 AtomPair CA 146 CA 145 HARMONIC 3.83139 0.5 AtomPair CA 147 CA 42 HARMONIC 7.47468 0.5 AtomPair CA 147 CA 45 HARMONIC 6.58366 0.5 AtomPair CA 147 CA 46 HARMONIC 6.9523 0.5 AtomPair CA 147 CA 142 HARMONIC 8.48122 0.5 AtomPair CA 147 CA 143 HARMONIC 6.33038 0.5 AtomPair CA 147 CA 144 HARMONIC 5.27801 0.5 AtomPair CA 147 CA 145 HARMONIC 5.28233 0.5 AtomPair CA 147 CA 146 HARMONIC 3.81654 0.5 AtomPair CA 148 CA 2 HARMONIC 8.29293 0.5 AtomPair CA 148 CA 4 HARMONIC 8.47929 0.5 AtomPair CA 148 CA 14 HARMONIC 8.21038 0.5 AtomPair CA 148 CA 53 HARMONIC 8.54603 0.5 AtomPair CA 148 CA 57 HARMONIC 7.44744 0.5 AtomPair CA 148 CA 143 HARMONIC 8.67759 0.5 AtomPair CA 148 CA 144 HARMONIC 6.15795 0.5 AtomPair CA 148 CA 145 HARMONIC 4.82518 0.5 AtomPair CA 148 CA 146 HARMONIC 5.58563 0.5 AtomPair CA 148 CA 147 HARMONIC 3.83299 0.5 AtomPair CA 149 CA 2 HARMONIC 7.60434 0.5 AtomPair CA 149 CA 13 HARMONIC 8.33418 0.5 AtomPair CA 149 CA 14 HARMONIC 6.04682 0.5 AtomPair CA 149 CA 144 HARMONIC 8.72782 0.5 AtomPair CA 149 CA 145 HARMONIC 5.96153 0.5 AtomPair CA 149 CA 146 HARMONIC 5.46022 0.5 AtomPair CA 149 CA 147 HARMONIC 5.59464 0.5 AtomPair CA 149 CA 148 HARMONIC 3.77407 0.5 AtomPair CA 150 CA 2 HARMONIC 8.61377 0.5 AtomPair CA 150 CA 145 HARMONIC 8.66842 0.5 AtomPair CA 150 CA 146 HARMONIC 6.87254 0.5 AtomPair CA 150 CA 147 HARMONIC 5.48605 0.5 AtomPair CA 150 CA 148 HARMONIC 5.30353 0.5 AtomPair CA 150 CA 149 HARMONIC 3.87505 0.5 AtomPair CA 151 CA 1 HARMONIC 8.27666 0.5 AtomPair CA 151 CA 2 HARMONIC 5.35755 0.5 AtomPair CA 151 CA 3 HARMONIC 5.36258 0.5 AtomPair CA 151 CA 4 HARMONIC 5.96924 0.5 AtomPair CA 151 CA 5 HARMONIC 8.40628 0.5 AtomPair CA 151 CA 50 HARMONIC 7.93119 0.5 AtomPair CA 151 CA 53 HARMONIC 8.44833 0.5 AtomPair CA 151 CA 147 HARMONIC 7.78323 0.5 AtomPair CA 151 CA 148 HARMONIC 5.75925 0.5 AtomPair CA 151 CA 149 HARMONIC 5.13476 0.5 AtomPair CA 151 CA 150 HARMONIC 3.80444 0.5 AtomPair CA 152 CA 1 HARMONIC 5.53508 0.5 AtomPair CA 152 CA 2 HARMONIC 4.15511 0.5 AtomPair CA 152 CA 3 HARMONIC 6.29756 0.5 AtomPair CA 152 CA 4 HARMONIC 8.38226 0.5 AtomPair CA 152 CA 9 HARMONIC 8.98819 0.5 AtomPair CA 152 CA 13 HARMONIC 7.57622 0.5 AtomPair CA 152 CA 14 HARMONIC 7.47391 0.5 AtomPair CA 152 CA 148 HARMONIC 7.26324 0.5 AtomPair CA 152 CA 149 HARMONIC 4.90357 0.5 AtomPair CA 152 CA 150 HARMONIC 5.62205 0.5 AtomPair CA 152 CA 151 HARMONIC 3.83162 0.5 AtomPair CA 153 CA 1 HARMONIC 5.49927 0.5 AtomPair CA 153 CA 2 HARMONIC 6.14781 0.5 AtomPair CA 153 CA 3 HARMONIC 7.32845 0.5 AtomPair CA 153 CA 149 HARMONIC 8.34026 0.5 AtomPair CA 153 CA 150 HARMONIC 8.10779 0.5 AtomPair CA 153 CA 151 HARMONIC 6.43711 0.5 AtomPair CA 153 CA 152 HARMONIC 3.82543 0.5 AtomPair CA 154 CA 1 HARMONIC 6.53275 0.5 AtomPair CA 154 CA 2 HARMONIC 8.84881 0.5 AtomPair CA 154 CA 152 HARMONIC 7.01465 0.5 AtomPair CA 154 CA 153 HARMONIC 3.78302 0.5