@MOLECULE FDBD02825 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0222 2 C1 0.0021 -0.0041 0.0020 C.ar 1 UNK 0.0435 3 C2 0.0060 -0.6990 -1.1973 C.ar 1 UNK -0.0194 4 C3 0.0255 -2.0845 -1.1597 C.ar 1 UNK 0.0435 5 C4 0.0309 -2.8822 -2.4383 C.3 1 UNK -0.0222 6 N 0.0397 -2.6979 0.0121 N.ar 1 UNK -0.2194 7 C5 0.0354 -2.0037 1.1398 C.ar 1 UNK 0.2232 8 N1 0.0220 -0.6796 1.1391 N.ar 1 UNK -0.2194 9 N2 0.0507 -2.6807 2.3524 N.am 1 UNK -0.2371 10 C6 0.0466 -1.9902 3.5098 C.2 1 UNK 0.3253 11 O 0.0296 -0.7747 3.4924 O.2 1 UNK -0.2508 12 N3 0.0614 -2.6471 4.6865 N.am 1 UNK -0.1676 13 S 0.0565 -1.7986 6.1086 S.O2 1 UNK 0.0938 14 O1 0.0402 -2.7636 7.1516 O.2 1 UNK -0.1484 15 O2 1.0637 -0.8038 5.9859 O.2 1 UNK -0.1484 16 C7 -1.4806 -0.9419 6.1994 C.ar 1 UNK 0.2156 17 C8 -1.7400 0.3259 5.7173 C.ar 1 UNK 0.1239 18 C9 -3.0947 0.6125 6.0049 C.ar 1 UNK 0.0659 19 N4 -3.6052 -0.4192 6.6180 N.ar 1 UNK -0.1708 20 N5 -2.6200 -1.4046 6.7463 N.ar 1 UNK -0.1943 21 C10 -2.7881 -2.6547 7.3493 C.ar 1 UNK 0.1561 22 C11 -3.7789 -2.8287 8.3078 C.ar 1 UNK -0.0174 23 C12 -3.9352 -4.0715 8.8968 C.ar 1 UNK -0.0568 24 C13 -3.0908 -5.1008 8.5043 C.ar 1 UNK -0.0435 25 C14 -2.1274 -4.8561 7.5452 C.ar 1 UNK 0.0300 26 N6 -2.0058 -3.6622 6.9981 N.ar 1 UNK -0.2361 27 C15 -0.7847 1.2135 5.0328 C.2 1 UNK 0.3439 28 O3 0.3589 0.8469 4.8461 O.2 1 UNK -0.2448 29 O4 -1.1786 2.4321 4.6135 O.3 1 UNK -0.4643 30 C16 -0.1839 3.2530 3.9465 C.3 1 UNK 0.0820 31 H 1.0042 1.8801 0.0026 H 1 UNK 0.0293 32 H1 -0.5455 1.8639 -0.8728 H 1 UNK 0.0293 33 H2 -0.5286 1.8543 0.9071 H 1 UNK 0.0293 34 H3 -0.0062 -0.1726 -2.1402 H 1 UNK 0.0653 35 H4 1.0598 -3.0602 -2.7511 H 1 UNK 0.0293 36 H5 -0.4689 -3.8366 -2.2732 H 1 UNK 0.0293 37 H6 -0.4941 -2.3267 -3.2153 H 1 UNK 0.0293 38 H7 0.0643 -3.6505 2.3663 H 1 UNK 0.1593 39 H8 0.0750 -3.6169 4.7004 H 1 UNK 0.1782 40 H9 -3.6155 1.5264 5.7598 H 1 UNK 0.0857 41 H10 -4.4184 -2.0052 8.5896 H 1 UNK 0.0655 42 H11 -4.6964 -4.2364 9.6449 H 1 UNK 0.0619 43 H12 -3.1859 -6.0825 8.9444 H 1 UNK 0.0633 44 H13 -1.4679 -5.6537 7.2364 H 1 UNK 0.0830 45 H14 0.1737 2.7380 3.0549 H 1 UNK 0.0661 46 H15 -0.6308 4.2054 3.6612 H 1 UNK 0.0661 47 H16 0.6522 3.4320 4.6225 H 1 UNK 0.0661 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 8 ar 6 2 3 ar 7 3 4 ar 8 3 34 1 9 4 5 1 10 4 6 ar 11 5 35 1 12 5 36 1 13 5 37 1 14 6 7 ar 15 7 8 ar 16 7 9 1 17 9 10 am 18 9 38 1 19 10 11 2 20 10 12 am 21 12 13 1 22 12 39 1 23 13 14 2 24 13 15 2 25 13 16 1 26 16 20 ar 27 16 17 ar 28 17 18 ar 29 17 27 1 30 18 19 ar 31 18 40 1 32 19 20 ar 33 20 21 1 34 21 26 ar 35 21 22 ar 36 22 23 ar 37 22 41 1 38 23 24 ar 39 23 42 1 40 24 25 ar 41 24 43 1 42 25 26 ar 43 25 44 1 44 27 28 2 45 27 29 1 46 29 30 1 47 30 45 1 48 30 46 1 49 30 47 1