NAME PET IO_STRING PET Z TYPE POLYMER AA UNK ATOM O1 OOC X -0.61 ATOM C1 CH1 X 0.06 ATOM O2 OOC X -0.61 ATOM C2 CH1 X 0.06 ATOM C4 CH1 X 0.06 ATOM C3 CH1 X 0.06 ATOM C7 CH1 X 0.06 ATOM C6 CH1 X 0.06 ATOM C5 CH1 X 0.06 ATOM H51 Hapo X 0.24 ATOM H61 Hapo X 0.24 ATOM C8 CH1 X 0.06 ATOM O3 OH X -0.51 ATOM C9 CH2 X -0.03 ATOM C10 CH2 X -0.03 ATOM HX1 Hapo X 0.24 ATOM HX2 Hapo X 0.24 ATOM H91 Hapo X 0.24 ATOM H92 Hapo X 0.24 ATOM O4 OOC X -0.61 ATOM H31 Hapo X 0.24 ATOM H41 Hapo X 0.24 LOWER_CONNECT O1 UPPER_CONNECT C10 MAINCHAIN_ATOMS C1 C2 C3 C4 C5 C6 C7 C8 C9 O2 O3 O4 H31 H41 H51 H61 H91 H92 HX1 HX2 BOND O1 C1 BOND C1 O2 BOND C1 C2 BOND C2 C4 BOND C2 C5 BOND C3 H31 BOND C3 C4 BOND C3 C7 BOND C4 H41 BOND C5 H51 BOND C5 C6 BOND C6 H61 BOND C6 C7 BOND C7 C8 BOND C8 O3 BOND C8 O4 BOND O3 C9 BOND C9 H91 BOND C9 H92 BOND C9 C10 BOND C10 HX1 BOND C10 HX2 CHI 1 O1 C1 C2 C4 CHI 2 C3 C7 C8 O3 CHI 3 C7 C8 O3 C9 CHI 4 C8 O3 C9 C10 NBR_ATOM C7 NBR_RADIUS 6.889478 ICOOR_INTERNAL O1 0.000000 0.000000 0.000000 O1 C1 O2 ICOOR_INTERNAL C1 0.000000 180.000000 1.443344 O1 C1 O2 ICOOR_INTERNAL O2 0.000000 57.210816 1.240821 C1 O1 O2 ICOOR_INTERNAL UPPER -16.465872 60.478963 1.511195 O1 C1 O2 ICOOR_INTERNAL C2 176.654779 67.514498 1.617543 C1 O1 O2 ICOOR_INTERNAL C4 -166.324644 60.632035 1.514518 C2 C1 O1 ICOOR_INTERNAL C3 173.423169 59.890448 1.514480 C4 C2 C1 ICOOR_INTERNAL C7 0.361308 59.951621 1.512436 C3 C4 C2 ICOOR_INTERNAL C6 2.262833 60.217028 1.512942 C7 C3 C4 ICOOR_INTERNAL C5 -2.996714 59.805746 1.513897 C6 C7 C3 ICOOR_INTERNAL H51 -177.632907 60.279453 1.116582 C5 C6 C7 ICOOR_INTERNAL H61 -178.432238 59.997709 1.115772 C6 C7 C5 ICOOR_INTERNAL C8 -177.928924 59.996794 1.615303 C7 C3 C6 ICOOR_INTERNAL O3 101.237509 64.984452 1.445939 C8 C7 C3 ICOOR_INTERNAL C9 -10.484921 56.937036 1.507185 O3 C8 C7 ICOOR_INTERNAL C10 86.934279 67.677387 1.672516 C9 O3 C8 ICOOR_INTERNAL LOWER 112.041935 66.821965 1.508362 C10 C9 O3 ICOOR_INTERNAL HX1 -9.107582 71.074119 1.155835 C10 C9 O3 ICOOR_INTERNAL HX2 -118.021821 71.534470 1.157280 C10 C9 HX1 ICOOR_INTERNAL H91 120.286160 70.973925 1.156776 C9 O3 C10 ICOOR_INTERNAL H92 118.108701 70.188191 1.154779 C9 O3 H91 ICOOR_INTERNAL O4 179.893021 56.151550 1.243039 C8 C7 O3 ICOOR_INTERNAL H31 -178.391623 60.034321 1.117220 C3 C4 C7 ICOOR_INTERNAL H41 -177.767116 59.990555 1.116587 C4 C2 C3