@MOLECULE FDBD02914 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1407 1.4970 0.1796 C.3 1 UNK -0.0626 2 C1 0.1648 -0.0327 0.1607 C.3 1 UNK -0.0462 3 C2 -1.2670 -0.5663 0.2394 C.3 1 UNK -0.0626 4 C3 0.8188 -0.5164 -1.1351 C.3 1 UNK -0.0436 5 C4 2.2875 -0.0882 -1.1559 C.3 1 UNK -0.0104 6 C5 3.0422 -0.8000 -0.0313 C.3 1 UNK -0.0578 7 C6 2.8994 -0.4563 -2.4830 C.ar 1 UNK 0.0138 8 C7 3.4446 0.4077 -3.3472 C.ar 1 UNK 0.0442 9 C8 3.9459 -0.1680 -4.5065 C.ar 1 UNK -0.0332 10 C9 3.8072 -1.4924 -4.5808 C.ar 1 UNK -0.0222 11 S 3.0128 -2.0880 -3.1293 S.2 1 UNK -0.0994 12 N 3.5047 1.7916 -3.1003 N.am 1 UNK -0.2807 13 C10 4.1983 2.5948 -3.9310 C.2 1 UNK 0.2518 14 O 4.8538 2.1137 -4.8356 O.2 1 UNK -0.2697 15 C11 4.1625 4.0567 -3.7433 C.ar 1 UNK 0.0863 16 C12 3.4717 4.7403 -2.7630 C.ar 1 UNK 0.0379 17 N1 3.7049 6.0499 -2.9461 N.ar 1 UNK -0.2732 18 C13 3.1658 7.1381 -2.1266 C.3 1 UNK 0.0302 19 N2 4.5503 6.2000 -4.0510 N.ar 1 UNK -0.1667 20 C14 4.8338 5.0199 -4.5294 C.ar 1 UNK 0.1772 21 C15 5.7145 4.7346 -5.7185 C.3 1 UNK 0.4367 22 F 6.2829 5.9286 -6.1750 F 1 UNK -0.1643 23 F1 6.7299 3.8478 -5.3447 F 1 UNK -0.1643 24 F2 4.9483 4.1625 -6.7397 F 1 UNK -0.1643 25 H 1.1607 1.8772 0.1235 H 1 UNK 0.0232 26 H1 -0.4306 1.8620 -0.6739 H 1 UNK 0.0232 27 H2 -0.3253 1.8416 1.1028 H 1 UNK 0.0232 28 H3 0.7360 -0.3977 1.0142 H 1 UNK 0.0296 29 H4 -1.8382 -0.2013 -0.6141 H 1 UNK 0.0232 30 H5 -1.2498 -1.6561 0.2259 H 1 UNK 0.0232 31 H6 -1.7329 -0.2217 1.1626 H 1 UNK 0.0232 32 H7 0.7564 -1.6033 -1.1899 H 1 UNK 0.0274 33 H8 0.3008 -0.0793 -1.9888 H 1 UNK 0.0274 34 H9 2.3536 0.9902 -1.0120 H 1 UNK 0.0352 35 H10 4.0885 -0.4949 -0.0461 H 1 UNK 0.0236 36 H11 2.5996 -0.5337 0.9285 H 1 UNK 0.0236 37 H12 2.9761 -1.8784 -0.1753 H 1 UNK 0.0236 38 H13 4.4123 0.4123 -5.2888 H 1 UNK 0.0641 39 H14 4.1362 -2.1066 -5.4060 H 1 UNK 0.0694 40 H15 3.0469 2.1675 -2.3321 H 1 UNK 0.1552 41 H16 2.8567 4.3023 -1.9908 H 1 UNK 0.0834 42 H17 3.8512 7.3485 -1.3056 H 1 UNK 0.0473 43 H18 3.0489 8.0314 -2.7402 H 1 UNK 0.0473 44 H19 2.1964 6.8441 -1.7244 H 1 UNK 0.0473 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 4 1 7 2 28 1 8 3 29 1 9 3 30 1 10 3 31 1 11 4 5 1 12 4 32 1 13 4 33 1 14 5 6 1 15 5 7 1 16 5 34 1 17 6 35 1 18 6 36 1 19 6 37 1 20 7 11 ar 21 7 8 ar 22 8 9 ar 23 8 12 1 24 9 10 ar 25 9 38 1 26 10 11 ar 27 10 39 1 28 12 13 am 29 12 40 1 30 13 14 2 31 13 15 1 32 15 20 ar 33 15 16 ar 34 16 17 ar 35 16 41 1 36 17 18 1 37 17 19 ar 38 18 42 1 39 18 43 1 40 18 44 1 41 19 20 ar 42 20 21 1 43 21 22 1 44 21 23 1 45 21 24 1