@MOLECULE FDBD02099 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4583 1.9267 -0.1848 C.3 1 UNK -0.0306 2 C1 -1.0267 0.4767 -0.4130 C.3 1 UNK 0.0896 3 O -2.1050 -0.4157 -0.0267 O.3 1 UNK -0.4649 4 C2 -1.8857 -1.7326 -0.1662 C.2 1 UNK 0.3087 5 O1 -0.8278 -2.1266 -0.5968 O.2 1 UNK -0.2508 6 C3 -2.9590 -2.7197 0.2143 C.3 1 UNK 0.0674 7 C4 -2.4570 -4.1424 -0.0403 C.3 1 UNK 0.1206 8 C5 -3.4804 -5.1322 0.4536 C.2 1 UNK 0.3212 9 O2 -4.6585 -4.8805 0.3601 O.2 1 UNK -0.2496 10 O3 -3.0832 -6.2933 0.9975 O.3 1 UNK -0.4641 11 C6 -4.1166 -7.1479 1.5544 C.3 1 UNK 0.0897 12 C7 -3.4681 -8.3557 2.2338 C.3 1 UNK -0.0306 13 S -2.1939 -4.3814 -1.8192 S.3 1 UNK -0.0586 14 P -1.1587 -6.2296 -1.9040 P.3 1 UNK 0.2294 15 S1 -0.6240 -6.5621 -3.6579 S.2 1 UNK 0.0032 16 O4 0.1374 -6.1630 -0.9513 O.3 1 UNK -0.3267 17 C8 1.0368 -5.0526 -0.9373 C.3 1 UNK 0.0441 18 O5 -2.1307 -7.4125 -1.4058 O.3 1 UNK -0.3267 19 C9 -3.1947 -7.9339 -2.2046 C.3 1 UNK 0.0441 20 H -0.6637 2.5843 -0.4695 H 1 UNK 0.0262 21 H1 -1.6879 2.0718 0.8501 H 1 UNK 0.0262 22 H2 -2.3251 2.1380 -0.7755 H 1 UNK 0.0262 23 H3 -0.1599 0.2654 0.1777 H 1 UNK 0.0694 24 H4 -0.7970 0.3316 -1.4479 H 1 UNK 0.0694 25 H5 -3.8341 -2.5396 -0.3744 H 1 UNK 0.0394 26 H6 -3.1970 -2.6057 1.2513 H 1 UNK 0.0394 27 H7 -1.5345 -4.2936 0.4802 H 1 UNK 0.0537 28 H8 -4.7625 -7.4839 0.7703 H 1 UNK 0.0694 29 H9 -4.6858 -6.5970 2.2737 H 1 UNK 0.0694 30 H10 -2.8990 -8.9066 1.5144 H 1 UNK 0.0262 31 H11 -4.2296 -8.9855 2.6442 H 1 UNK 0.0262 32 H12 -2.8223 -8.0197 3.0179 H 1 UNK 0.0262 33 H13 1.8173 -5.2347 -0.2284 H 1 UNK 0.0528 34 H14 0.5047 -4.1661 -0.6620 H 1 UNK 0.0528 35 H15 1.4618 -4.9256 -1.9110 H 1 UNK 0.0528 36 H16 -3.6987 -8.7087 -1.6656 H 1 UNK 0.0528 37 H17 -2.7956 -8.3332 -3.1136 H 1 UNK 0.0528 38 H18 -3.8865 -7.1501 -2.4328 H 1 UNK 0.0528 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 7 13 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 13 14 1 14 14 15 2 15 14 16 1 16 14 18 1 17 16 17 1 18 18 19 1 19 1 20 1 20 1 21 1 21 1 22 1 22 2 23 1 23 2 24 1 24 6 25 1 25 6 26 1 26 7 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 17 33 1 33 17 34 1 34 17 35 1 35 19 36 1 36 19 37 1 37 19 38 1