@MOLECULE FDBD02250 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2104 1.8798 -1.6380 C.3 1 UNK -0.0585 2 C1 0.3805 0.4544 -1.1086 C.3 1 UNK -0.0144 3 C2 -0.7325 -0.5261 -1.4839 C.3 1 UNK -0.0585 4 C3 1.8042 -0.0970 -1.0087 C.3 1 UNK -0.0019 5 C4 2.0033 -1.5644 -1.2881 C.2 1 UNK -0.0567 6 C5 2.7914 -1.9449 -2.2651 C.2 1 UNK 0.1170 7 C6 2.9905 -3.4123 -2.5445 C.3 1 UNK 0.4275 8 F 2.2377 -4.1661 -1.6377 F 1 UNK -0.1651 9 F1 2.5737 -3.6994 -3.8488 F 1 UNK -0.1651 10 F2 4.3451 -3.7337 -2.4065 F 1 UNK -0.1651 11 Cl 3.6050 -0.7581 -3.2363 Cl 1 UNK -0.0794 12 C7 1.0402 0.2835 0.2612 C.3 1 UNK 0.0689 13 C8 0.5449 -0.8379 1.1376 C.2 1 UNK 0.3129 14 O -0.6418 -1.0269 1.2638 O.2 1 UNK -0.2504 15 O1 1.4220 -1.6269 1.7779 O.3 1 UNK -0.4412 16 C9 0.8736 -2.6870 2.6048 C.3 1 UNK 0.2129 17 C10 0.7094 -3.9055 1.7954 C.1 1 UNK 0.1123 18 N 0.5827 -4.8458 1.1707 N.1 1 UNK -0.1923 19 C11 1.8123 -2.9673 3.7499 C.ar 1 UNK 0.0103 20 C12 3.1787 -2.8625 3.5647 C.ar 1 UNK -0.0538 21 C13 4.0425 -3.1186 4.6133 C.ar 1 UNK -0.0579 22 C14 3.5424 -3.4804 5.8493 C.ar 1 UNK -0.0193 23 C15 2.1720 -3.5862 6.0378 C.ar 1 UNK 0.1288 24 C16 1.3069 -3.3231 4.9851 C.ar 1 UNK -0.0116 25 O2 1.6775 -3.9420 7.2525 O.3 1 UNK -0.4560 26 C17 0.3282 -4.0145 7.3956 C.ar 1 UNK 0.1284 27 C18 -0.3650 -5.1109 6.9029 C.ar 1 UNK -0.0193 28 C19 -1.7367 -5.1821 7.0497 C.ar 1 UNK -0.0583 29 C20 -2.4190 -4.1619 7.6866 C.ar 1 UNK -0.0615 30 C21 -1.7307 -3.0681 8.1781 C.ar 1 UNK -0.0583 31 C22 -0.3582 -2.9950 8.0398 C.ar 1 UNK -0.0193 32 H -0.8292 2.1327 -1.6539 H 1 UNK 0.0235 33 H1 0.6078 1.9418 -2.6295 H 1 UNK 0.0235 34 H2 0.7336 2.5618 -1.0008 H 1 UNK 0.0235 35 H3 -1.6681 -0.0080 -1.5168 H 1 UNK 0.0235 36 H4 -0.7822 -1.3060 -0.7531 H 1 UNK 0.0235 37 H5 -0.5256 -0.9499 -2.4443 H 1 UNK 0.0235 38 H6 2.7506 0.1690 -1.4312 H 1 UNK 0.0357 39 H7 1.5196 -2.2699 -0.7108 H 1 UNK 0.0589 40 H8 1.2302 0.9261 1.0954 H 1 UNK 0.0425 41 H9 -0.0776 -2.3835 2.9894 H 1 UNK 0.0948 42 H10 3.5543 -2.5926 2.6421 H 1 UNK 0.0622 43 H11 5.0618 -3.0394 4.4727 H 1 UNK 0.0619 44 H12 4.1876 -3.6718 6.6316 H 1 UNK 0.0654 45 H13 0.2868 -3.3932 5.1250 H 1 UNK 0.0658 46 H14 0.1437 -5.8724 6.4272 H 1 UNK 0.0654 47 H15 -2.2527 -5.9974 6.6837 H 1 UNK 0.0619 48 H16 -3.4438 -4.2170 7.7953 H 1 UNK 0.0618 49 H17 -2.2428 -2.3056 8.6487 H 1 UNK 0.0619 50 H18 0.1562 -2.1829 8.4152 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 12 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 12 1 7 5 6 2 8 6 7 1 9 6 11 1 10 7 8 1 11 7 9 1 12 7 10 1 13 12 13 1 14 13 14 2 15 13 15 1 16 15 16 1 17 16 17 1 18 16 19 1 19 17 18 3 20 19 24 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 23 25 1 27 25 26 1 28 26 31 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 29 30 ar 33 30 31 ar 34 1 32 1 35 1 33 1 36 1 34 1 37 3 35 1 38 3 36 1 39 3 37 1 40 4 38 1 41 5 39 1 42 12 40 1 43 16 41 1 44 20 42 1 45 21 43 1 46 22 44 1 47 24 45 1 48 27 46 1 49 28 47 1 50 29 48 1 51 30 49 1 52 31 50 1