@MOLECULE FDBD02335 53 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3084 1.8122 0.1984 C.3 1 UNK -0.0390 2 C1 0.4776 0.3178 0.1025 C.ar 1 UNK -0.0377 3 C2 0.5699 -0.2868 -1.1310 C.ar 1 UNK -0.0491 4 C3 0.7273 -1.6720 -1.2198 C.ar 1 UNK -0.0002 5 C4 0.7910 -2.4439 -0.0567 C.ar 1 UNK -0.0520 6 C5 0.6986 -1.8392 1.1763 C.ar 1 UNK -0.0488 7 C6 0.5466 -0.4532 1.2651 C.ar 1 UNK 0.0396 8 C7 0.4475 0.1960 2.5891 C.2 1 UNK 0.2447 9 O 0.4271 1.4086 2.6715 O.2 1 UNK -0.2702 10 N 0.3797 -0.5565 3.7052 N.am 1 UNK -0.3026 11 C8 0.2814 0.0869 5.0177 C.3 1 UNK 0.0875 12 C9 0.2203 -0.9688 6.0914 C.2 1 UNK 0.2005 13 N1 0.2576 -2.2181 5.7707 N.2 1 UNK -0.2445 14 C10 0.3732 -3.2392 6.8148 C.3 1 UNK 0.1380 15 C11 -0.9103 -4.0708 6.8592 C.3 1 UNK 0.4090 16 F -1.1075 -4.6906 5.6206 F 1 UNK -0.1687 17 F1 -0.8000 -5.0459 7.8563 F 1 UNK -0.1687 18 F2 -1.9972 -3.2363 7.1414 F 1 UNK -0.1687 19 O1 0.1265 -0.6076 7.3880 O.2 1 UNK -0.4946 20 C12 0.8258 -2.3204 -2.5422 C.2 1 UNK 0.0917 21 N2 0.7861 -1.7195 -3.6840 N.2 1 UNK -0.0876 22 O2 0.9127 -2.6075 -4.7770 O.2 1 UNK -0.3726 23 C13 0.6344 -3.9371 -4.2930 C.3 1 UNK 0.2625 24 C14 0.9976 -3.8066 -2.7928 C.3 1 UNK 0.0489 25 C15 -0.8212 -4.2831 -4.4734 C.ar 1 UNK 0.0102 26 C16 -1.4483 -5.1234 -3.5727 C.ar 1 UNK -0.0360 27 C17 -2.7845 -5.4418 -3.7381 C.ar 1 UNK 0.0427 28 C18 -3.4931 -4.9186 -4.8047 C.ar 1 UNK -0.0250 29 C19 -2.8651 -4.0773 -5.7055 C.ar 1 UNK 0.0427 30 C20 -1.5302 -3.7555 -5.5362 C.ar 1 UNK -0.0360 31 Cl -3.7534 -3.4208 -7.0447 Cl 1 UNK -0.0835 32 Cl1 -3.5716 -6.4982 -2.6074 Cl 1 UNK -0.0835 33 C21 1.5298 -4.9691 -4.9816 C.3 1 UNK 0.4366 34 F3 2.8722 -4.6499 -4.7505 F 1 UNK -0.1661 35 F4 1.2574 -6.2408 -4.4660 F 1 UNK -0.1661 36 F5 1.2786 -4.9602 -6.3578 F 1 UNK -0.1661 37 H 0.2557 2.0998 1.2277 H 1 UNK 0.0278 38 H1 -0.5934 2.1017 -0.2995 H 1 UNK 0.0278 39 H2 1.1428 2.2961 -0.2649 H 1 UNK 0.0278 40 H3 0.5228 0.2833 -1.9899 H 1 UNK 0.0627 41 H4 0.9073 -3.4672 -0.1222 H 1 UNK 0.0624 42 H5 0.7416 -2.4096 2.0352 H 1 UNK 0.0625 43 H6 0.3962 -1.5386 3.6385 H 1 UNK 0.1495 44 H7 -0.6043 0.6860 5.0558 H 1 UNK 0.0559 45 H8 1.1387 0.7073 5.1759 H 1 UNK 0.0559 46 H9 0.5240 -2.7652 7.7621 H 1 UNK 0.0599 47 H10 1.2044 -3.8775 6.5990 H 1 UNK 0.0599 48 H11 0.0994 0.2996 7.6208 H 1 UNK 0.2934 49 H12 0.3326 -4.3812 -2.1824 H 1 UNK 0.0376 50 H13 1.9766 -4.1687 -2.5576 H 1 UNK 0.0376 51 H14 -0.9197 -5.5133 -2.7767 H 1 UNK 0.0636 52 H15 -4.4898 -5.1558 -4.9284 H 1 UNK 0.0647 53 H16 -1.0637 -3.1214 -6.2036 H 1 UNK 0.0636 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 20 1 7 5 6 ar 8 6 7 ar 9 7 8 1 10 8 9 2 11 8 10 am 12 10 11 1 13 11 12 1 14 12 13 2 15 12 19 1 16 13 14 1 17 14 15 1 18 15 16 1 19 15 17 1 20 15 18 1 21 20 24 1 22 20 21 2 23 21 22 1 24 22 23 1 25 23 24 1 26 23 25 1 27 23 33 1 28 25 30 ar 29 25 26 ar 30 26 27 ar 31 27 28 ar 32 27 32 1 33 28 29 ar 34 29 30 ar 35 29 31 1 36 33 34 1 37 33 35 1 38 33 36 1 39 1 37 1 40 1 38 1 41 1 39 1 42 3 40 1 43 5 41 1 44 6 42 1 45 10 43 1 46 11 44 1 47 11 45 1 48 14 46 1 49 14 47 1 50 19 48 1 51 24 49 1 52 24 50 1 53 26 51 1 54 28 52 1 55 30 53 1