@MOLECULE FDBD01917 52 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5873 1.6233 -0.4225 C.3 1 UNK -0.0379 2 C1 -1.1290 0.2249 -0.0975 C.ar 1 UNK -0.0289 3 C2 -0.8772 -0.6742 -1.1154 C.ar 1 UNK -0.0503 4 C3 -0.4566 -1.9574 -0.8180 C.ar 1 UNK 0.0072 5 C4 -0.2862 -2.3449 0.4987 C.ar 1 UNK -0.0532 6 C5 -0.5357 -1.4508 1.5209 C.ar 1 UNK -0.0399 7 C6 -0.9538 -0.1593 1.2255 C.ar 1 UNK 0.0366 8 N -1.2069 0.7487 2.2582 N.am 1 UNK -0.2813 9 C7 -1.6985 0.3115 3.4345 C.2 1 UNK 0.2490 10 O -2.0015 -0.8578 3.5696 O.2 1 UNK -0.2698 11 C8 -1.8694 1.2547 4.5609 C.ar 1 UNK 0.0505 12 C9 -1.5291 2.5958 4.4088 C.ar 1 UNK -0.0488 13 C10 -1.6897 3.4743 5.4640 C.ar 1 UNK -0.0596 14 C11 -2.1883 3.0305 6.6753 C.ar 1 UNK -0.0426 15 C12 -2.5322 1.7009 6.8459 C.ar 1 UNK 0.0538 16 C13 -2.3824 0.8025 5.7911 C.ar 1 UNK 0.0671 17 C14 -2.7485 -0.6191 5.9670 C.2 1 UNK 0.2474 18 O1 -3.8789 -0.9908 5.7189 O.2 1 UNK -0.2701 19 N1 -1.8288 -1.5029 6.4024 N.am 1 UNK -0.2937 20 C15 -2.1916 -2.9116 6.5767 C.3 1 UNK 0.1158 21 C16 -3.3249 -3.0237 7.5985 C.3 1 UNK -0.0306 22 C17 -2.6538 -3.4887 5.2372 C.3 1 UNK -0.0306 23 C18 -1.0212 -3.6638 7.0574 C.1 1 UNK 0.0878 24 N2 -0.1180 -4.2443 7.4285 N.1 1 UNK -0.1943 25 Cl -3.1566 1.1540 8.3706 Cl 1 UNK -0.0827 26 C19 -0.1837 -2.9360 -1.9311 C.3 1 UNK 0.3230 27 C20 1.0437 -2.4794 -2.7222 C.3 1 UNK 0.4362 28 F 2.1721 -2.5188 -1.8961 F 1 UNK -0.1666 29 F1 1.2365 -3.3301 -3.8159 F 1 UNK -0.1666 30 F2 0.8448 -1.1717 -3.1779 F 1 UNK -0.1666 31 C21 0.0781 -4.3222 -1.3386 C.3 1 UNK 0.4362 32 F3 -1.0118 -4.7055 -0.5497 F 1 UNK -0.1666 33 F4 0.2522 -5.2466 -2.3742 F 1 UNK -0.1666 34 F5 1.2331 -4.2818 -0.5504 F 1 UNK -0.1666 35 F6 -1.2921 -2.9946 -2.7827 F 1 UNK -0.2177 36 H -0.7193 2.2720 -0.5400 H 1 UNK 0.0278 37 H1 -2.1602 1.6115 -1.3498 H 1 UNK 0.0278 38 H2 -2.2139 1.9976 0.3870 H 1 UNK 0.0278 39 H3 -1.0093 -0.3748 -2.1446 H 1 UNK 0.0625 40 H4 0.0421 -3.3480 0.7276 H 1 UNK 0.0622 41 H5 -0.4025 -1.7540 2.5489 H 1 UNK 0.0636 42 H6 -1.0287 1.6933 2.1280 H 1 UNK 0.1551 43 H7 -1.1391 2.9501 3.4661 H 1 UNK 0.0625 44 H8 -1.4237 4.5139 5.3419 H 1 UNK 0.0618 45 H9 -2.3096 3.7255 7.4930 H 1 UNK 0.0632 46 H10 -0.9268 -1.2064 6.6003 H 1 UNK 0.1505 47 H11 -4.1915 -2.4667 7.2425 H 1 UNK 0.0260 48 H12 -3.5948 -4.0717 7.7282 H 1 UNK 0.0260 49 H13 -2.9956 -2.6125 8.5528 H 1 UNK 0.0260 50 H14 -1.8465 -3.4088 4.5092 H 1 UNK 0.0260 51 H15 -2.9237 -4.5368 5.3669 H 1 UNK 0.0260 52 H16 -3.5204 -2.9317 4.8812 H 1 UNK 0.0260 @BOND 1 1 2 1 2 1 36 1 3 1 37 1 4 1 38 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 39 1 9 4 5 ar 10 4 26 1 11 5 6 ar 12 5 40 1 13 6 7 ar 14 6 41 1 15 7 8 1 16 8 9 am 17 8 42 1 18 9 10 2 19 9 11 1 20 11 16 ar 21 11 12 ar 22 12 13 ar 23 12 43 1 24 13 14 ar 25 13 44 1 26 14 15 ar 27 14 45 1 28 15 16 ar 29 15 25 1 30 16 17 1 31 17 18 2 32 17 19 am 33 19 20 1 34 19 46 1 35 20 21 1 36 20 22 1 37 20 23 1 38 21 47 1 39 21 48 1 40 21 49 1 41 22 50 1 42 22 51 1 43 22 52 1 44 23 24 3 45 26 27 1 46 26 31 1 47 26 35 1 48 27 28 1 49 27 29 1 50 27 30 1 51 31 32 1 52 31 33 1 53 31 34 1