@MOLECULE FDBD02269 56 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6252 2.4568 2.7395 C.3 1 UNK -0.0616 2 C1 -3.2808 1.0551 2.2321 C.3 1 UNK -0.0297 3 C2 -2.0606 0.5248 2.9876 C.3 1 UNK -0.0616 4 C3 -4.4704 0.1216 2.4656 C.3 1 UNK 0.0838 5 C4 -5.6723 0.6439 1.7215 C.ar 1 UNK -0.0332 6 C5 -5.6263 0.7825 0.3465 C.ar 1 UNK -0.0543 7 C6 -6.7265 1.2614 -0.3378 C.ar 1 UNK -0.0195 8 C7 -7.8785 1.6032 0.3556 C.ar 1 UNK 0.1269 9 C8 -7.9223 1.4628 1.7351 C.ar 1 UNK -0.0195 10 C9 -6.8212 0.9785 2.4143 C.ar 1 UNK -0.0543 11 O -8.9621 2.0750 -0.3153 O.3 1 UNK -0.4342 12 C10 -10.1134 2.4068 0.4634 C.3 1 UNK 0.3893 13 F -10.5592 1.2692 1.1447 F 1 UNK -0.1663 14 F1 -9.7802 3.4031 1.3873 F 1 UNK -0.1663 15 C11 -4.1312 -1.2590 1.9658 C.2 1 UNK 0.3164 16 O1 -4.7971 -1.7668 1.0949 O.2 1 UNK -0.2501 17 O2 -3.0893 -1.9247 2.4884 O.3 1 UNK -0.4410 18 C12 -2.8211 -3.2498 1.9588 C.3 1 UNK 0.2129 19 C13 -1.8954 -3.1447 0.8192 C.1 1 UNK 0.1123 20 N -1.1810 -3.0636 -0.0604 N.1 1 UNK -0.1923 21 C14 -2.1996 -4.1040 3.0337 C.ar 1 UNK 0.0103 22 C15 -1.3433 -3.5356 3.9589 C.ar 1 UNK -0.0538 23 C16 -0.7718 -4.3162 4.9465 C.ar 1 UNK -0.0579 24 C17 -1.0547 -5.6670 5.0111 C.ar 1 UNK -0.0193 25 C18 -1.9135 -6.2398 4.0841 C.ar 1 UNK 0.1288 26 C19 -2.4902 -5.4527 3.0973 C.ar 1 UNK -0.0116 27 O3 -2.1933 -7.5681 4.1455 O.3 1 UNK -0.4560 28 C20 -2.9519 -8.1066 3.1551 C.ar 1 UNK 0.1284 29 C21 -2.3484 -8.5968 2.0058 C.ar 1 UNK -0.0193 30 C22 -3.1220 -9.1437 1.0005 C.ar 1 UNK -0.0583 31 C23 -4.4965 -9.2025 1.1384 C.ar 1 UNK -0.0615 32 C24 -5.1005 -8.7143 2.2825 C.ar 1 UNK -0.0583 33 C25 -4.3310 -8.1724 3.2937 C.ar 1 UNK -0.0193 34 H -2.7933 3.1096 2.5762 H 1 UNK 0.0233 35 H1 -3.8445 2.4134 3.7859 H 1 UNK 0.0233 36 H2 -4.4786 2.8276 2.2113 H 1 UNK 0.0233 37 H3 -3.0614 1.0985 1.1857 H 1 UNK 0.0306 38 H4 -2.2801 0.4815 4.0339 H 1 UNK 0.0233 39 H5 -1.2286 1.1776 2.8244 H 1 UNK 0.0233 40 H6 -1.8197 -0.4555 2.6328 H 1 UNK 0.0233 41 H7 -4.6898 0.0782 3.5120 H 1 UNK 0.0465 42 H8 -4.7692 0.5279 -0.1689 H 1 UNK 0.0622 43 H9 -6.6916 1.3649 -1.3640 H 1 UNK 0.0654 44 H10 -8.7768 1.7200 2.2535 H 1 UNK 0.0654 45 H11 -6.8561 0.8663 3.4396 H 1 UNK 0.0622 46 H12 -10.8894 2.7634 -0.1813 H 1 UNK 0.1520 47 H13 -3.7376 -3.6962 1.6338 H 1 UNK 0.0948 48 H14 -1.1305 -2.5269 3.9120 H 1 UNK 0.0622 49 H15 -0.1334 -3.8896 5.6360 H 1 UNK 0.0619 50 H16 -0.6276 -6.2494 5.7482 H 1 UNK 0.0654 51 H17 -3.1357 -5.8748 2.4116 H 1 UNK 0.0658 52 H18 -1.3226 -8.5528 1.9022 H 1 UNK 0.0654 53 H19 -2.6736 -9.5087 0.1457 H 1 UNK 0.0619 54 H20 -5.0726 -9.6114 0.3862 H 1 UNK 0.0618 55 H21 -6.1270 -8.7548 2.3810 H 1 UNK 0.0619 56 H22 -4.7814 -7.8168 4.1514 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 15 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 11 1 12 9 10 ar 13 11 12 1 14 12 13 1 15 12 14 1 16 15 16 2 17 15 17 1 18 17 18 1 19 18 19 1 20 18 21 1 21 19 20 3 22 21 26 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 25 26 ar 28 25 27 1 29 27 28 1 30 28 33 ar 31 28 29 ar 32 29 30 ar 33 30 31 ar 34 31 32 ar 35 32 33 ar 36 1 34 1 37 1 35 1 38 1 36 1 39 2 37 1 40 3 38 1 41 3 39 1 42 3 40 1 43 4 41 1 44 6 42 1 45 7 43 1 46 9 44 1 47 10 45 1 48 12 46 1 49 18 47 1 50 22 48 1 51 23 49 1 52 24 50 1 53 26 51 1 54 29 52 1 55 30 53 1 56 31 54 1 57 32 55 1 58 33 56 1