@MOLECULE gtp_reduced.pdb 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 O2G 133.1030 142.2530 119.3430 O.2 442 GTP442 -0.2221 2 PG 134.4830 141.4950 119.6680 P.3 442 GTP442 0.5373 3 O3G 134.2270 140.7210 121.0550 O.3 442 GTP442 -0.1143 4 O1G 135.6150 142.4480 119.7460 O.3 442 GTP442 -0.1143 5 O3B 134.6870 140.3850 118.5170 O.3 442 GTP442 -0.2258 6 PB 135.8430 140.6430 117.4240 P.3 442 GTP442 0.2277 7 O1B 136.6740 141.7550 117.9420 O.2 442 GTP442 -0.5168 8 O2B 135.1980 140.8070 116.1030 O.3 442 GTP442 -0.4368 9 O3A 136.6980 139.2780 117.4690 O.3 442 GTP442 -0.2700 10 PA 136.2800 138.0050 116.5650 P.3 442 GTP442 0.2182 11 O1A 137.5000 137.2170 116.2840 O.2 442 GTP442 -0.5170 12 O2A 135.4900 138.5020 115.4130 O.3 442 GTP442 -0.4371 13 O5' 135.3130 137.1740 117.5520 O.3 442 GTP442 -0.3246 14 C5' 135.4460 135.7550 117.6820 C.3 442 GTP442 0.0836 15 C4' 135.1810 135.0470 116.3490 C.3 442 GTP442 0.1133 16 O4' 136.3420 135.2150 115.5150 O.3 442 GTP442 -0.3456 17 C3' 135.1040 133.5430 116.6250 C.3 442 GTP442 0.1135 18 O3' 134.5750 132.8730 115.4810 O.3 442 GTP442 -0.3864 19 C2' 136.5930 133.2400 116.7450 C.3 442 GTP442 0.1285 20 O2' 136.8070 131.8350 116.6120 O.3 442 GTP442 -0.3847 21 C1' 137.0170 133.9460 115.4600 C.3 442 GTP442 0.1667 22 N9 138.4910 134.0840 115.3810 N.ar 442 GTP442 -0.2854 23 C8 139.2230 135.0290 115.9630 C.ar 442 GTP442 0.1005 24 N7 140.5090 134.8400 115.6680 N.ar 442 GTP442 -0.2286 25 C5 140.5980 133.7570 114.9040 C.ar 442 GTP442 0.1721 26 C4 139.3100 133.2690 114.7180 C.ar 442 GTP442 0.1712 27 N3 139.0850 132.1750 113.9740 N.ar 442 GTP442 -0.1963 28 C2 140.0970 131.5180 113.3860 C.ar 442 GTP442 0.1950 29 N2 139.8420 130.4380 112.6520 N.pl3 442 GTP442 -0.3289 30 HAE 140.5930 129.9450 112.2110 H 442 GTP442 0.1451 31 HAD 138.9010 130.1170 112.5450 H 442 GTP442 0.1451 32 N1 141.4140 131.9660 113.5340 N.ar 442 GTP442 -0.2934 33 HAC 142.1670 131.4730 113.0940 H 442 GTP442 0.1716 34 C6 141.6750 133.1040 114.3040 C.ar 442 GTP442 0.2803 35 O6 142.8200 133.5300 114.4380 O.2 442 GTP442 -0.2654 36 HO3' 135.0050 132.1640 115.3480 H 442 GTP442 0.2100 37 HO2' 137.6280 131.6690 116.6770 H 442 GTP442 0.2101 38 HN22 139.0330 130.1620 112.5600 H 442 GTP442 0.0000 39 HN21 140.4860 130.0160 112.2690 H 442 GTP442 0.0000 40 H5'' 136.3390 135.5390 117.9940 H 442 GTP442 0.0591 41 HN1 142.0600 131.5440 113.1540 H 442 GTP442 0.0000 42 H8 138.8750 135.7450 116.5170 H 442 GTP442 0.1030 43 H5' 134.8250 135.4300 118.3520 H 442 GTP442 0.0591 44 H4' 134.3740 135.3970 115.9400 H 442 GTP442 0.0647 45 H3' 134.5550 133.2800 117.3800 H 442 GTP442 0.0647 46 H2' 137.0380 133.5020 117.5660 H 442 GTP442 0.0665 47 H1' 136.7780 133.4510 114.6610 H 442 GTP442 0.0866 @BOND 1 21 22 1 2 28 29 1 3 28 32 ar 4 19 20 1 5 19 21 1 6 17 18 1 7 17 19 1 8 26 27 ar 9 15 16 1 10 15 17 1 11 25 26 ar 12 25 34 ar 13 14 15 1 14 34 35 2 15 23 24 ar 16 32 33 1 17 32 34 ar 18 29 30 1 19 29 31 1 20 27 28 ar 21 24 25 ar 22 22 23 ar 23 22 26 ar 24 1 2 2 25 9 10 1 26 5 6 1 27 16 21 1 28 13 14 1 29 10 11 2 30 10 12 1 31 10 13 1 32 6 7 2 33 6 8 1 34 6 9 1 35 2 3 1 36 2 4 1 37 2 5 1 38 47 21 1 39 36 18 1 40 44 15 1 41 23 42 1 42 20 37 1 43 17 45 1 44 19 46 1 45 14 40 1 46 14 43 1