@MOLECULE FDBD02389 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2269 -5.8048 5.4443 C.3 1 UNK -0.0362 2 C1 -2.4472 -5.6086 4.1697 C.ar 1 UNK -0.0074 3 C2 -2.5416 -6.5379 3.1516 C.ar 1 UNK -0.0370 4 C3 -1.8259 -6.3582 1.9814 C.ar 1 UNK 0.0414 5 C4 -1.0143 -5.2479 1.8281 C.ar 1 UNK -0.0399 6 C5 -0.9173 -4.3167 2.8436 C.ar 1 UNK -0.0183 7 C6 -1.6387 -4.4922 4.0157 C.ar 1 UNK 0.1242 8 O -1.5449 -3.5768 5.0160 O.3 1 UNK -0.4825 9 C7 -0.6845 -2.4578 4.7928 C.3 1 UNK 0.1655 10 C8 -0.7079 -1.5573 6.0010 C.2 1 UNK 0.2548 11 O1 -1.3938 -1.8454 6.9589 O.2 1 UNK -0.2717 12 N 0.0334 -0.4319 6.0171 N.am 1 UNK -0.2827 13 C9 -0.0623 0.4536 7.0963 C.ar 1 UNK 0.0336 14 C10 0.0318 1.8227 6.8835 C.ar 1 UNK -0.0386 15 C11 -0.0630 2.6940 7.9509 C.ar 1 UNK -0.0333 16 C12 -0.2514 2.2045 9.2304 C.ar 1 UNK 0.1088 17 C13 -0.3451 0.8417 9.4456 C.ar 1 UNK -0.0333 18 C14 -0.2572 -0.0346 8.3817 C.ar 1 UNK -0.0386 19 S -0.3719 3.3195 10.5894 S.O2 1 UNK 0.0769 20 O2 -0.0073 2.5813 11.7476 O.2 1 UNK -0.1498 21 O3 0.2873 4.5129 10.1889 O.2 1 UNK -0.1498 22 N1 -1.9724 3.7060 10.7659 N.am 1 UNK -0.1508 23 C15 -2.8609 2.7547 11.1154 C.2 1 UNK 0.4194 24 O4 -2.4875 1.6134 11.3010 O.2 1 UNK -0.2248 25 O5 -4.1622 3.0690 11.2589 O.3 1 UNK -0.4527 26 C16 -5.0621 1.9941 11.6370 C.3 1 UNK 0.0833 27 Cl -1.9457 -7.5274 0.7038 Cl 1 UNK -0.0835 28 H -4.2058 -5.3352 5.3474 H 1 UNK 0.0279 29 H1 -3.3526 -6.8710 5.6329 H 1 UNK 0.0279 30 H2 -2.6864 -5.3502 6.2745 H 1 UNK 0.0279 31 H3 -3.1742 -7.4052 3.2696 H 1 UNK 0.0636 32 H4 -0.4560 -5.1095 0.9140 H 1 UNK 0.0633 33 H5 -0.2835 -3.4505 2.7238 H 1 UNK 0.0655 34 H6 0.3327 -2.8101 4.6219 H 1 UNK 0.0795 35 H7 -1.0286 -1.9034 3.9197 H 1 UNK 0.0795 36 H8 0.6333 -0.2357 5.2805 H 1 UNK 0.1549 37 H9 0.1793 2.2056 5.8845 H 1 UNK 0.0637 38 H10 0.0104 3.7589 7.7861 H 1 UNK 0.0638 39 H11 -0.4919 0.4625 10.4461 H 1 UNK 0.0638 40 H12 -0.3308 -1.0988 8.5504 H 1 UNK 0.0637 41 H13 -2.2705 4.6171 10.6178 H 1 UNK 0.1800 42 H14 -5.0317 1.2113 10.8790 H 1 UNK 0.0661 43 H15 -4.7527 1.5820 12.5975 H 1 UNK 0.0661 44 H16 -6.0775 2.3819 11.7182 H 1 UNK 0.0661 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 31 1 9 4 5 ar 10 4 27 1 11 5 6 ar 12 5 32 1 13 6 7 ar 14 6 33 1 15 7 8 1 16 8 9 1 17 9 10 1 18 9 34 1 19 9 35 1 20 10 11 2 21 10 12 am 22 12 13 1 23 12 36 1 24 13 18 ar 25 13 14 ar 26 14 15 ar 27 14 37 1 28 15 16 ar 29 15 38 1 30 16 17 ar 31 16 19 1 32 17 18 ar 33 17 39 1 34 18 40 1 35 19 20 2 36 19 21 2 37 19 22 1 38 22 23 am 39 22 41 1 40 23 24 2 41 23 25 1 42 25 26 1 43 26 42 1 44 26 43 1 45 26 44 1