@MOLECULE FDBD02140 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.1263 -1.1521 -3.1542 C.3 1 UNK 0.0441 2 O 2.3262 -1.1331 -1.9704 O.3 1 UNK -0.3267 3 P 0.7204 -1.0194 -1.9990 P.3 1 UNK 0.2301 4 S -0.0080 -2.6471 -2.5401 S.2 1 UNK 0.0032 5 O1 0.1820 -0.6535 -0.5266 O.3 1 UNK -0.3267 6 C1 -1.1886 -0.7850 -0.1441 C.3 1 UNK 0.0441 7 S1 0.1438 0.5002 -3.3602 S.3 1 UNK -0.0542 8 C2 0.7893 2.0082 -2.5857 C.3 1 UNK 0.0773 9 N 2.2389 2.0780 -2.7860 N.am 1 UNK -0.2237 10 C3 3.1525 1.7171 -1.8670 C.2 1 UNK 0.2546 11 O2 2.9102 1.2889 -0.7567 O.2 1 UNK -0.2695 12 C4 4.5008 1.9288 -2.4348 C.ar 1 UNK 0.0494 13 C5 5.7900 1.7390 -1.9636 C.ar 1 UNK -0.0489 14 C6 6.8705 2.0467 -2.7754 C.ar 1 UNK -0.0610 15 C7 6.6705 2.5413 -4.0506 C.ar 1 UNK -0.0610 16 C8 5.3866 2.7363 -4.5353 C.ar 1 UNK -0.0489 17 C9 4.2968 2.4331 -3.7351 C.ar 1 UNK 0.0494 18 C10 2.8315 2.5060 -3.9153 C.2 1 UNK 0.2546 19 O3 2.2585 2.8895 -4.9151 O.2 1 UNK -0.2695 20 H 4.1589 -1.2331 -2.8855 H 1 UNK 0.0528 21 H1 2.9708 -0.2476 -3.7044 H 1 UNK 0.0528 22 H2 2.8484 -1.9898 -3.7591 H 1 UNK 0.0528 23 H3 -1.3046 -0.4841 0.8762 H 1 UNK 0.0528 24 H4 -1.4927 -1.8052 -0.2519 H 1 UNK 0.0528 25 H5 -1.7948 -0.1641 -0.7702 H 1 UNK 0.0528 26 H6 0.5745 1.9909 -1.5376 H 1 UNK 0.0589 27 H7 0.3261 2.8640 -3.0306 H 1 UNK 0.0589 28 H8 5.9450 1.3701 -1.0123 H 1 UNK 0.0625 29 H9 7.8310 1.9056 -2.4253 H 1 UNK 0.0618 30 H10 7.4827 2.7669 -4.6459 H 1 UNK 0.0618 31 H11 5.2430 3.1057 -5.4881 H 1 UNK 0.0625 @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 18 am 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