@MOLECULE FDBD02313 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0414 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0502 3 O 0.6709 -0.4649 -1.1737 O.3 1 UNK -0.3405 4 C2 0.7457 -1.8880 -1.2798 C.3 1 UNK 0.0756 5 N 1.4468 -2.2495 -2.5143 N.4 1 UNK 0.2676 6 C3 0.8580 -2.4496 -3.7292 C.3 1 UNK 0.0021 7 C4 -0.5832 -2.3409 -4.0288 C.3 1 UNK 0.0035 8 C5 -1.5236 -2.9107 -3.1673 C.3 1 UNK -0.0437 9 C6 -2.8686 -2.8057 -3.4529 C.3 1 UNK -0.0362 10 C7 -3.2878 -2.1370 -4.5911 C.3 1 UNK 0.0340 11 C8 -2.3604 -1.5702 -5.4496 C.3 1 UNK -0.0362 12 C9 -1.0128 -1.6628 -5.1721 C.3 1 UNK -0.0437 13 Cl -4.9828 -2.0092 -4.9435 Cl 1 UNK -0.1218 14 C10 1.8638 -2.7739 -4.6339 C.3 1 UNK 0.1068 15 C11 1.7004 -3.0653 -6.0264 C.1 1 UNK 0.0728 16 N1 1.5707 -3.2964 -7.1310 N.1 1 UNK -0.1960 17 C12 3.0841 -2.7597 -3.9078 C.3 1 UNK 0.0868 18 C13 2.7950 -2.4344 -2.6346 C.3 1 UNK 0.0929 19 C14 3.7977 -2.3038 -1.5172 C.3 1 UNK 0.4340 20 F 3.9501 -3.5402 -0.8805 F 1 UNK -0.1652 21 F1 5.0286 -1.8940 -2.0407 F 1 UNK -0.1652 22 F2 3.3452 -1.3560 -0.5930 F 1 UNK -0.1652 23 Br 4.8036 -3.1242 -4.6052 Br 1 UNK -0.0804 24 H -0.5195 1.8709 0.8908 H 1 UNK 0.0252 25 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0252 26 H2 0.9851 1.8962 0.0027 H 1 UNK 0.0252 27 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0559 28 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0559 29 H5 -0.2430 -2.2967 -1.2984 H 1 UNK 0.1148 30 H6 1.2783 -2.2808 -0.4390 H 1 UNK 0.1148 31 H7 0.9559 -2.0248 -1.6489 H 1 UNK 0.2069 32 H8 -0.1872 -2.3741 -3.9456 H 1 UNK 0.0868 33 H9 0.1978 -3.0336 -4.2634 H 1 UNK 0.0356 34 H10 -1.3752 -2.4627 -2.2070 H 1 UNK 0.0270 35 H11 -1.3336 -3.9602 -3.2529 H 1 UNK 0.0270 36 H12 -3.3229 -2.3110 -2.6199 H 1 UNK 0.0279 37 H13 -3.1577 -3.8181 -3.6438 H 1 UNK 0.0279 38 H14 -2.2512 -2.1499 -4.3263 H 1 UNK 0.0465 39 H15 -2.5920 -0.5272 -5.5085 H 1 UNK 0.0279 40 H16 -2.4667 -2.1508 -6.3421 H 1 UNK 0.0279 41 H17 -0.5569 -2.1483 -6.0096 H 1 UNK 0.0270 42 H18 -0.7295 -0.6491 -4.9797 H 1 UNK 0.0270 43 H19 1.7416 -2.9918 -5.6743 H 1 UNK 0.0523 44 H20 4.0541 -2.9892 -4.2968 H 1 UNK 0.0491 45 H21 3.5112 -2.3017 -1.8508 H 1 UNK 0.0953 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 18 1 6 5 6 1 7 6 7 1 8 6 14 1 9 7 12 1 10 7 8 1 11 8 9 1 12 9 10 1 13 10 11 1 14 10 13 1 15 11 12 1 16 14 15 1 17 14 17 1 18 15 16 3 19 17 18 1 20 17 23 1 21 18 19 1 22 19 20 1 23 19 21 1 24 19 22 1 25 1 24 1 26 1 25 1 27 1 26 1 28 2 27 1 29 2 28 1 30 4 29 1 31 4 30 1 32 5 31 1 33 6 32 1 34 7 33 1 35 8 34 1 36 8 35 1 37 9 36 1 38 9 37 1 39 10 38 1 40 11 39 1 41 11 40 1 42 12 41 1 43 12 42 1 44 14 43 1 45 17 44 1 46 18 45 1