@MOLECULE FDBD02339 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5919 -0.1609 -0.8481 C.3 1 UNK -0.0601 2 C1 0.9206 -1.4756 -0.4457 C.3 1 UNK -0.0157 3 C2 1.3822 -1.8741 0.9324 C.2 1 UNK 0.0378 4 N 0.5355 -1.9136 1.9133 N.2 1 UNK -0.1583 5 N1 0.9306 -2.2547 3.0930 N.2 1 UNK -0.1487 6 C3 0.0713 -2.2949 4.0885 C.2 1 UNK 0.1004 7 C4 -1.3678 -2.0775 3.8318 C.ar 1 UNK 0.0028 8 C5 -2.1405 -1.3520 4.7411 C.ar 1 UNK -0.0511 9 C6 -3.4827 -1.1526 4.4960 C.ar 1 UNK -0.0428 10 C7 -4.0649 -1.6706 3.3508 C.ar 1 UNK 0.0410 11 C8 -3.3040 -2.3914 2.4453 C.ar 1 UNK -0.0428 12 C9 -1.9593 -2.5918 2.6759 C.ar 1 UNK -0.0511 13 Cl -5.7555 -1.4158 3.0495 Cl 1 UNK -0.0835 14 C10 0.5448 -2.5571 5.4624 C.ar 1 UNK 0.0029 15 C11 -0.3728 -2.8403 6.4777 C.ar 1 UNK -0.0489 16 C12 0.0732 -3.0848 7.7578 C.ar 1 UNK -0.0164 17 C13 1.4333 -3.0497 8.0404 C.ar 1 UNK 0.1564 18 C14 2.3491 -2.7685 7.0338 C.ar 1 UNK -0.0164 19 C15 1.9121 -2.5285 5.7498 C.ar 1 UNK -0.0489 20 O 1.8687 -3.2904 9.3038 O.3 1 UNK -0.3463 21 S 2.1627 -4.7563 9.5885 S.O2 1 UNK 0.1178 22 O1 2.3386 -4.8112 10.9975 O.2 1 UNK -0.1370 23 O2 1.1005 -5.4562 8.9551 O.2 1 UNK -0.1370 24 C16 3.7326 -5.0766 8.7380 C.3 1 UNK 0.0920 25 C17 2.8279 -2.2266 1.1702 C.3 1 UNK -0.0245 26 H 1.2642 0.1220 -1.8266 H 1 UNK 0.0233 27 H1 2.6542 -0.2891 -0.8510 H 1 UNK 0.0233 28 H2 1.3268 0.6038 -0.1482 H 1 UNK 0.0233 29 H3 1.1857 -2.2403 -1.1456 H 1 UNK 0.0323 30 H4 -0.1417 -1.3474 -0.4428 H 1 UNK 0.0323 31 H5 -1.7078 -0.9659 5.5948 H 1 UNK 0.0625 32 H6 -4.0546 -0.6164 5.1671 H 1 UNK 0.0632 33 H7 -3.7443 -2.7793 1.5963 H 1 UNK 0.0632 34 H8 -1.3912 -3.1207 1.9958 H 1 UNK 0.0625 35 H9 -1.3831 -2.8662 6.2687 H 1 UNK 0.0625 36 H10 -0.6037 -3.2944 8.5081 H 1 UNK 0.0655 37 H11 3.3581 -2.7394 7.2486 H 1 UNK 0.0655 38 H12 2.5934 -2.3279 5.0011 H 1 UNK 0.0625 39 H13 4.5193 -4.5422 9.2283 H 1 UNK 0.0499 40 H14 3.6602 -4.7514 7.7212 H 1 UNK 0.0499 41 H15 3.9443 -6.1252 8.7629 H 1 UNK 0.0499 42 H16 3.3721 -2.1383 0.2531 H 1 UNK 0.0290 43 H17 2.8954 -3.2322 1.5295 H 1 UNK 0.0290 44 H18 3.2428 -1.5596 1.8968 H 1 UNK 0.0290 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 25 1 5 4 5 1 6 5 6 2 7 6 7 1 8 6 14 1 9 7 12 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 10 13 1 15 11 12 ar 16 14 19 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 17 20 1 22 18 19 ar 23 20 21 1 24 21 22 2 25 21 23 2 26 21 24 1 27 1 26 1 28 1 27 1 29 1 28 1 30 2 29 1 31 2 30 1 32 8 31 1 33 9 32 1 34 11 33 1 35 12 34 1 36 15 35 1 37 16 36 1 38 18 37 1 39 19 38 1 40 24 39 1 41 24 40 1 42 24 41 1 43 25 42 1 44 25 43 1 45 25 44 1