@MOLECULE DB01106 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 1.4325 -4.1822 -1.4694 F 1 noname -0.1655 2 C1 0.5214 -3.2961 -1.1914 C.2 1 noname 0.0232 3 C2 0.8975 -2.1624 -0.4184 C.2 1 noname -0.0058 4 C3 -0.8101 -3.5136 -1.6806 C.2 1 noname -0.0058 5 C4 -0.1217 -1.2125 -0.1330 C.2 1 noname -0.0350 6 C5 -1.8046 -2.5412 -1.3647 C.2 1 noname -0.0350 7 C6 -1.5032 -1.3646 -0.5847 C.2 1 noname -0.0487 8 C7 -2.5840 -0.3374 -0.2028 C.3 1 noname 0.0823 9 C8 -4.0131 -0.4474 -0.8085 C.1 1 noname 0.0687 10 C9 -2.2150 1.1322 -0.6333 C.3 1 noname -0.0288 11 C10 -2.8896 -0.4511 1.3318 C.3 1 noname -0.0288 12 N1 -5.0674 -0.5286 -1.2553 N.1 1 noname -0.1921 13 C11 -1.1265 1.7661 0.2727 C.3 1 noname -0.0357 14 C12 -1.7307 0.1305 2.1836 C.3 1 noname -0.0357 15 C13 -1.4315 1.6263 1.8157 C.3 1 noname 0.0098 16 N2 -2.5010 2.5597 2.3382 N.3 1 noname -0.2999 17 C14 -2.4026 4.0125 1.8740 C.3 1 noname 0.0024 18 C15 -2.8282 2.3814 3.8177 C.3 1 noname -0.0001 19 C16 -2.7203 5.1489 2.9125 C.3 1 noname -0.0122 20 C17 -1.9954 3.3172 4.7242 C.3 1 noname -0.0209 21 C18 -2.2397 4.8139 4.3643 C.3 1 noname 0.0859 22 C19 -4.2255 5.4229 2.9241 C.3 1 noname -0.0599 23 C20 -3.1626 5.4024 5.3304 C.2 1 noname -0.0479 24 C21 -0.9244 5.4200 4.5496 C.2 1 noname 0.1405 25 C22 -2.9409 5.2378 6.6927 C.2 1 noname -0.0527 26 C23 -4.2630 6.1273 4.8880 C.2 1 noname -0.0527 27 O1 -0.7852 6.6573 4.4392 O.2 1 noname -0.2519 28 O2 0.1414 4.6441 4.8403 O.3 1 noname -0.2158 29 C24 -3.8196 5.7981 7.6126 C.2 1 noname -0.0594 30 C25 -5.1417 6.6876 5.8078 C.2 1 noname -0.0594 31 C26 -4.9200 6.5230 7.1701 C.2 1 noname -0.0613 32 H1 1.9186 -2.0279 -0.0616 H 1 noname 0.0653 33 H2 -1.0590 -4.3926 -2.2752 H 1 noname 0.0653 34 H3 0.1656 -0.3386 0.4516 H 1 noname 0.0627 35 H4 -2.8197 -2.7011 -1.7282 H 1 noname 0.0627 36 H5 -1.7696 1.0589 -1.6255 H 1 noname 0.0287 37 H6 -3.1130 1.7312 -0.4819 H 1 noname 0.0287 38 H7 -3.7554 0.1826 1.5241 H 1 noname 0.0287 39 H8 -2.9314 -1.5156 1.5625 H 1 noname 0.0287 40 H9 -0.2199 1.1899 0.0878 H 1 noname 0.0283 41 H10 -1.1481 2.8335 0.0532 H 1 noname 0.0283 42 H11 -2.0843 0.1302 3.2147 H 1 noname 0.0283 43 H12 -0.8416 -0.4386 1.9123 H 1 noname 0.0283 44 H13 -0.5516 1.9760 2.3557 H 1 noname 0.0467 45 H14 -1.3516 4.1411 1.6152 H 1 noname 0.0433 46 H15 -3.1684 4.1007 1.1034 H 1 noname 0.0433 47 H16 -3.8680 2.6878 3.9322 H 1 noname 0.0431 48 H17 -2.5290 1.3638 4.0688 H 1 noname 0.0431 49 H18 -2.1904 6.0466 2.5940 H 1 noname 0.0327 50 H19 -2.3722 3.1759 5.7371 H 1 noname 0.0294 51 H20 -0.9494 3.1101 4.4979 H 1 noname 0.0294 52 H21 -4.5753 5.4866 3.9545 H 1 noname 0.0234 53 H22 -4.4274 6.3643 2.4130 H 1 noname 0.0234 54 H23 -4.7462 4.6131 2.4130 H 1 noname 0.0234 55 H24 -2.0780 4.6693 7.0397 H 1 noname 0.0625 56 H25 -4.4368 6.2564 3.8197 H 1 noname 0.0625 57 H26 0.2365 4.5749 5.7931 H 1 noname 0.2213 58 H27 -3.6458 5.6690 8.6808 H 1 noname 0.0622 59 H28 -6.0046 7.2561 5.4608 H 1 noname 0.0622 60 H29 -5.6090 6.9624 7.8914 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 9 12 3 13 10 13 1 14 11 14 1 15 13 15 1 16 14 15 1 17 15 16 1 18 16 17 1 19 16 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 19 22 1 24 20 21 1 25 21 23 1 26 21 24 1 27 23 25 2 28 23 26 1 29 24 27 2 30 24 28 1 31 25 29 1 32 26 30 2 33 29 31 2 34 30 31 1 35 3 32 1 36 4 33 1 37 5 34 1 38 6 35 1 39 10 36 1 40 10 37 1 41 11 38 1 42 11 39 1 43 13 40 1 44 13 41 1 45 14 42 1 46 14 43 1 47 15 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 19 49 1 53 20 50 1 54 20 51 1 55 22 52 1 56 22 53 1 57 22 54 1 58 25 55 1 59 26 56 1 60 28 57 1 61 29 58 1 62 30 59 1 63 31 60 1 @SUBSTRUCTURE 1 noname 1