@MOLECULE FDBD02138 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5907 1.4778 1.0790 C.3 1 UNK 0.0441 2 O 5.4489 0.7847 2.3206 O.3 1 UNK -0.3266 3 P 4.3401 -0.3564 2.5662 P.3 1 UNK 0.2343 4 S 4.8515 -1.9187 1.6883 S.2 1 UNK 0.0033 5 O1 4.2085 -0.6462 4.1444 O.3 1 UNK -0.3266 6 C1 3.5523 -1.8009 4.6717 C.3 1 UNK 0.0441 7 S1 2.4714 0.2997 1.8100 S.3 1 UNK -0.0016 8 C2 2.2341 1.8964 2.6376 C.3 1 UNK 0.2292 9 N 1.8440 1.6707 4.0315 N.am 1 UNK 0.0095 10 C3 0.5473 1.4341 4.3409 C.2 1 UNK 0.4438 11 O2 -0.3131 1.4033 3.4803 O.2 1 UNK -0.2114 12 C4 0.2193 1.2153 5.7580 C.ar 1 UNK 0.1187 13 C5 -1.0859 0.9639 6.1771 C.ar 1 UNK -0.0426 14 C6 -1.3436 0.7648 7.5156 C.ar 1 UNK -0.0608 15 C7 -0.3146 0.8129 8.4471 C.ar 1 UNK -0.0597 16 C8 0.9811 1.0597 8.0540 C.ar 1 UNK -0.0334 17 C9 1.2681 1.2649 6.7019 C.ar 1 UNK 0.1085 18 N1 2.5331 1.5109 6.2790 N.2 1 UNK -0.0904 19 N2 2.8116 1.6942 5.0395 N.2 1 UNK 0.1139 20 H 6.3895 2.1856 1.1549 H 1 UNK 0.0528 21 H1 4.6799 1.9910 0.8510 H 1 UNK 0.0528 22 H2 5.8088 0.7758 0.3015 H 1 UNK 0.0528 23 H3 3.5911 -1.7762 5.7407 H 1 UNK 0.0528 24 H4 4.0432 -2.6831 4.3173 H 1 UNK 0.0528 25 H5 2.5312 -1.8081 4.3519 H 1 UNK 0.0528 26 H6 1.4654 2.4470 2.1368 H 1 UNK 0.1181 27 H7 3.1478 2.4525 2.6085 H 1 UNK 0.1181 28 H8 -1.8543 0.9271 5.4892 H 1 UNK 0.0627 29 H9 -2.3091 0.5784 7.8287 H 1 UNK 0.0618 30 H10 -0.5241 0.6617 9.4462 H 1 UNK 0.0618 31 H11 1.7377 1.0931 8.7550 H 1 UNK 0.0640 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 3 7 1 6 5 6 1 7 7 8 1 8 8 9 1 9 9 19 1 10 9 10 am 11 10 11 2 12 10 12 1 13 12 17 ar 14 12 13 ar 15 13 14 ar 16 14 15 ar 17 15 16 ar 18 16 17 ar 19 17 18 1 20 18 19 2 21 1 20 1 22 1 21 1 23 1 22 1 24 6 23 1 25 6 24 1 26 6 25 1 27 8 26 1 28 8 27 1 29 13 28 1 30 14 29 1 31 15 30 1 32 16 31 1