@MOLECULE FDBD02234 59 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6046 1.2158 0.0912 C.3 1 UNK -0.0585 2 C1 0.0781 -0.1480 -0.0301 C.3 1 UNK -0.0144 3 C2 -0.6301 -1.3057 0.6763 C.3 1 UNK -0.0585 4 C3 0.8083 -0.4587 -1.3382 C.3 1 UNK -0.0031 5 C4 0.7994 0.6018 -2.4089 C.2 1 UNK -0.0728 6 C5 0.1195 0.4041 -3.5357 C.2 1 UNK 0.0189 7 C6 -0.7578 -0.7672 -3.6686 C.2 1 UNK 0.3325 8 O -0.9671 -1.4818 -2.7081 O.2 1 UNK -0.2456 9 O1 -1.3306 -1.0491 -4.8559 O.3 1 UNK -0.4398 10 C7 -2.1852 -2.2215 -4.9137 C.3 1 UNK 0.2908 11 C8 -3.2754 -2.0066 -5.9654 C.3 1 UNK 0.4352 12 F -2.6828 -1.7994 -7.2157 F 1 UNK -0.1665 13 F1 -4.0988 -3.1362 -6.0211 F 1 UNK -0.1665 14 F2 -4.0414 -0.8877 -5.6212 F 1 UNK -0.1665 15 C9 -1.3475 -3.4452 -5.2901 C.3 1 UNK 0.4352 16 F3 -0.3507 -3.6417 -4.3284 F 1 UNK -0.1665 17 F4 -2.1709 -4.5748 -5.3458 F 1 UNK -0.1665 18 F5 -0.7549 -3.2380 -6.5404 F 1 UNK -0.1665 19 C10 1.6075 -0.1717 -0.0656 C.3 1 UNK 0.0689 20 C11 2.3266 1.1498 0.0214 C.2 1 UNK 0.3129 21 O2 1.9173 2.1022 -0.5993 O.2 1 UNK -0.2504 22 O3 3.4217 1.2688 0.7884 O.3 1 UNK -0.4412 23 C12 4.0629 2.5711 0.8244 C.3 1 UNK 0.2129 24 C13 5.0743 2.6497 -0.2421 C.1 1 UNK 0.1123 25 N 5.8549 2.7104 -1.0653 N.1 1 UNK -0.1923 26 C14 4.7277 2.7668 2.1626 C.ar 1 UNK 0.0103 27 C15 5.3985 1.7159 2.7610 C.ar 1 UNK -0.0538 28 C16 6.0099 1.8922 3.9884 C.ar 1 UNK -0.0579 29 C17 5.9517 3.1193 4.6206 C.ar 1 UNK -0.0193 30 C18 5.2794 4.1752 4.0224 C.ar 1 UNK 0.1288 31 C19 4.6714 3.9972 2.7876 C.ar 1 UNK -0.0116 32 O4 5.2206 5.3831 4.6421 O.3 1 UNK -0.4560 33 C20 4.6268 6.4111 3.9810 C.ar 1 UNK 0.1284 34 C21 3.2430 6.4855 3.9110 C.ar 1 UNK -0.0193 35 C22 2.6419 7.5315 3.2383 C.ar 1 UNK -0.0583 36 C23 3.4179 8.5037 2.6344 C.ar 1 UNK -0.0615 37 C24 4.7970 8.4317 2.7022 C.ar 1 UNK -0.0583 38 C25 5.4031 7.3913 3.3794 C.ar 1 UNK -0.0193 39 H -1.0722 1.2965 1.0502 H 1 UNK 0.0235 40 H1 -1.3443 1.3138 -0.6757 H 1 UNK 0.0235 41 H2 0.1253 1.9908 -0.0161 H 1 UNK 0.0235 42 H3 -1.0948 -0.9469 1.5709 H 1 UNK 0.0235 43 H4 0.0843 -2.0627 0.9244 H 1 UNK 0.0235 44 H5 -1.3750 -1.7171 0.0277 H 1 UNK 0.0235 45 H6 0.7797 -1.2569 -2.0503 H 1 UNK 0.0357 46 H7 1.3206 1.4814 -2.2683 H 1 UNK 0.0577 47 H8 0.2084 1.0734 -4.3162 H 1 UNK 0.0686 48 H9 -2.6384 -2.3800 -3.9575 H 1 UNK 0.0920 49 H10 2.3695 -0.6858 0.4821 H 1 UNK 0.0425 50 H11 3.3281 3.3347 0.6761 H 1 UNK 0.0948 51 H12 5.4428 0.7984 2.2905 H 1 UNK 0.0622 52 H13 6.5102 1.1065 4.4328 H 1 UNK 0.0619 53 H14 6.4079 3.2503 5.5370 H 1 UNK 0.0654 54 H15 4.1777 4.7834 2.3368 H 1 UNK 0.0658 55 H16 2.6634 5.7599 4.3612 H 1 UNK 0.0654 56 H17 1.6127 7.5875 3.1864 H 1 UNK 0.0619 57 H18 2.9669 9.2844 2.1322 H 1 UNK 0.0618 58 H19 5.3741 9.1558 2.2465 H 1 UNK 0.0619 59 H20 6.4323 7.3431 3.4378 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 19 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 19 1 7 5 6 2 8 6 7 1 9 7 8 2 10 7 9 1 11 9 10 1 12 10 11 1 13 10 15 1 14 11 12 1 15 11 13 1 16 11 14 1 17 15 16 1 18 15 17 1 19 15 18 1 20 19 20 1 21 20 21 2 22 20 22 1 23 22 23 1 24 23 24 1 25 23 26 1 26 24 25 3 27 26 31 ar 28 26 27 ar 29 27 28 ar 30 28 29 ar 31 29 30 ar 32 30 31 ar 33 30 32 1 34 32 33 1 35 33 38 ar 36 33 34 ar 37 34 35 ar 38 35 36 ar 39 36 37 ar 40 37 38 ar 41 1 39 1 42 1 40 1 43 1 41 1 44 3 42 1 45 3 43 1 46 3 44 1 47 4 45 1 48 5 46 1 49 6 47 1 50 10 48 1 51 19 49 1 52 23 50 1 53 27 51 1 54 28 52 1 55 29 53 1 56 31 54 1 57 34 55 1 58 35 56 1 59 36 57 1 60 37 58 1 61 38 59 1