NAME PNS IO_STRING PNS Z TYPE LIGAND AA UNK ATOM N1 Nbb X -0.29 ATOM C6 CAbb X 0.25 ATOM C5 CAbb X 0.14 ATOM C2 CAbb X 0.02 ATOM C1 CAbb X -0.05 ATOM C3 CAbb X -0.05 ATOM C4 CAbb X 0.07 ATOM O1 OCbb X -0.29 ATOM P CAbb X 0.47 ATOM O2 OCbb X -0.23 ATOM O3 OCbb X -0.30 ATOM H9 HNbb X 0.22 ATOM O4 OCbb X -0.30 ATOM H10 HNbb X 0.22 ATOM O5 OCbb X -0.38 ATOM H12 HNbb X 0.21 ATOM O6 OCbb X -0.27 ATOM C7 CAbb X 0.00 ATOM C8 CAbb X 0.02 ATOM C9 CAbb X 0.26 ATOM O7 OCbb X -0.27 ATOM N2 OCbb X -0.18 ATOM C10 CAbb X 0.03 ATOM C11 CAbb X -0.00 ATOM S CAbb X -0.06 ATOM H13 HNbb X 0.15 BOND_TYPE C1 C2 1 BOND_TYPE C2 C3 1 BOND_TYPE C2 C4 1 BOND_TYPE C2 C5 1 BOND_TYPE C4 O1 1 BOND_TYPE O1 P 1 BOND_TYPE P O2 2 BOND_TYPE P O3 1 BOND_TYPE P O4 1 BOND_TYPE C5 O5 1 BOND_TYPE C5 C6 1 BOND_TYPE C6 O6 2 BOND_TYPE C6 N1 4 BOND_TYPE N1 C7 1 BOND_TYPE C7 C8 2 BOND_TYPE C8 C9 1 BOND_TYPE C9 O7 2 BOND_TYPE C9 N2 1 BOND_TYPE N2 C10 2 BOND_TYPE C10 C11 1 BOND_TYPE C11 S 2 BOND_TYPE O3 H9 1 BOND_TYPE O4 H10 1 BOND_TYPE O5 H12 1 BOND_TYPE N1 H13 1 CHI 1 O1 P O3 H9 PROTON_CHI 1 SAMPLES 2 0 180 EXTRA 1 20 CHI 2 O1 P O4 H10 PROTON_CHI 2 SAMPLES 2 0 180 EXTRA 1 20 CHI 3 C6 C5 O5 H12 PROTON_CHI 3 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 4 C5 C2 C4 O1 CHI 5 C6 C5 C2 C1 CHI 6 C2 C4 O1 P CHI 7 C4 O1 P O2 CHI 8 N1 C6 C5 C2 CHI 9 C6 N1 C7 C8 CHI 10 C7 C8 C9 O7 CHI 11 C8 C9 N2 C10 CHI 12 N2 C10 C11 S NBR_ATOM N1 NBR_RADIUS 11.750236 ICOOR_INTERNAL N1 0.000000 0.000000 0.000000 N1 C6 C5 ICOOR_INTERNAL C6 0.000000 180.000000 1.540278 N1 C6 C5 ICOOR_INTERNAL C5 0.000000 60.006670 1.539412 C6 N1 C5 ICOOR_INTERNAL C2 180.000000 60.006670 1.540278 C5 C6 N1 ICOOR_INTERNAL C1 180.000000 90.000000 1.540278 C2 C5 C6 ICOOR_INTERNAL C3 180.000000 90.000000 1.540278 C2 C5 C1 ICOOR_INTERNAL C4 0.000000 0.000001 1.540278 C2 C5 C3 ICOOR_INTERNAL O1 180.000000 60.006670 1.539412 C4 C2 C5 ICOOR_INTERNAL P 180.000000 60.006670 1.540278 O1 C4 C2 ICOOR_INTERNAL O2 0.000000 0.000000 1.540278 P O1 C4 ICOOR_INTERNAL O3 0.000000 90.000000 1.540278 P O1 O2 ICOOR_INTERNAL H9 180.000000 70.531647 0.970022 O3 P O1 ICOOR_INTERNAL O4 180.000000 90.000000 1.540278 P O1 O3 ICOOR_INTERNAL H10 180.000000 70.528695 0.969984 O4 P O1 ICOOR_INTERNAL O5 180.000000 59.987362 1.540000 C5 C6 C2 ICOOR_INTERNAL H12 180.000000 70.530148 0.969966 O5 C5 C6 ICOOR_INTERNAL O6 180.000000 60.005968 1.540000 C6 N1 C5 ICOOR_INTERNAL C7 180.000000 59.988064 1.540278 N1 C6 C5 ICOOR_INTERNAL C8 180.000000 60.006670 1.539412 C7 N1 C6 ICOOR_INTERNAL C9 180.000000 60.006670 1.540278 C8 C7 N1 ICOOR_INTERNAL O7 0.000000 60.005968 1.540000 C9 C8 C7 ICOOR_INTERNAL N2 180.000000 59.988064 1.540278 C9 C8 O7 ICOOR_INTERNAL C10 180.000000 60.006670 1.539412 N2 C9 C8 ICOOR_INTERNAL C11 180.000000 60.006670 1.540278 C10 N2 C9 ICOOR_INTERNAL S 180.000000 59.988064 1.540278 C11 C10 N2 ICOOR_INTERNAL H13 180.000000 60.005968 0.984500 N1 C6 C7