@MOLECULE 71315249 59 62 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.2615 -4.1957 -5.3983 Cl 1 noname -0.0845 2 F1 10.5945 10.5790 -5.0272 F 1 noname -0.1636 3 O1 1.6847 3.0205 2.3160 O.3 1 noname -0.3849 4 O2 7.1271 9.0228 -0.0973 O.2 1 noname -0.2978 5 N1 3.0334 6.1568 0.1504 N.3 1 noname -0.3030 6 C1 2.0797 3.4029 0.9919 C.3 1 noname 0.0922 7 C2 1.0979 4.5720 0.6170 C.3 1 noname -0.0070 8 C3 3.5791 3.8692 1.1794 C.3 1 noname -0.0070 9 C4 3.8013 5.3848 1.1819 C.3 1 noname 0.0013 10 C5 1.7081 5.6152 -0.3239 C.3 1 noname 0.0013 11 C6 1.8905 2.2724 0.0433 C.2 1 noname -0.0395 12 C7 3.8317 6.5809 -1.0121 C.3 1 noname -0.0014 13 C8 4.9536 7.5135 -0.5439 C.3 1 noname -0.0331 14 C9 0.9895 1.2504 0.4151 C.2 1 noname -0.0436 15 C10 2.4919 2.2377 -1.2469 C.2 1 noname -0.0436 16 C11 5.8021 7.9177 -1.7109 C.3 1 noname 0.0120 17 C12 0.6740 0.2468 -0.4826 C.2 1 noname -0.0436 18 C13 2.1679 1.2120 -2.1480 C.2 1 noname -0.0436 19 C14 1.2383 0.2116 -1.7780 C.2 1 noname -0.0397 20 C15 6.9612 8.7209 -1.3105 C.2 1 noname 0.0921 21 C16 0.8699 -0.8420 -2.6495 C.2 1 noname -0.0368 22 C17 7.8794 9.1678 -2.2797 C.2 1 noname -0.0220 23 C18 -0.4326 -1.4098 -2.5821 C.2 1 noname -0.0373 24 C19 1.8211 -1.3544 -3.5650 C.2 1 noname -0.0373 25 C20 8.9610 9.9761 -1.8584 C.2 1 noname -0.0020 26 C21 7.7545 8.8486 -3.6636 C.2 1 noname -0.0020 27 C22 -0.7759 -2.4627 -3.4259 C.2 1 noname -0.0230 28 C23 1.4539 -2.3839 -4.4262 C.2 1 noname -0.0230 29 C24 0.1637 -2.9373 -4.3529 C.2 1 noname -0.0117 30 C25 9.8805 10.4552 -2.7922 C.2 1 noname 0.0043 31 C26 8.6719 9.3278 -4.5902 C.2 1 noname 0.0043 32 C27 9.7387 10.1340 -4.1542 C.2 1 noname 0.0407 33 H1 3.9766 3.4995 2.1355 H 1 noname 0.0312 34 H2 4.2230 3.4233 0.4172 H 1 noname 0.0312 35 H3 0.1983 4.1857 0.1400 H 1 noname 0.0312 36 H4 0.7737 5.0931 1.5177 H 1 noname 0.0312 37 H5 3.6165 5.8329 2.1537 H 1 noname 0.0431 38 H6 4.8684 5.4168 1.0471 H 1 noname 0.0431 39 H7 1.0043 6.4519 -0.4323 H 1 noname 0.0431 40 H8 1.7911 5.1516 -1.3112 H 1 noname 0.0431 41 H9 3.2111 7.1375 -1.7428 H 1 noname 0.0430 42 H10 4.2193 5.6849 -1.5146 H 1 noname 0.0430 43 H11 4.5399 8.4088 -0.0809 H 1 noname 0.0284 44 H12 5.6509 7.0134 0.1190 H 1 noname 0.0284 45 H13 0.7337 2.8986 2.2168 H 1 noname 0.2113 46 H14 0.5536 1.2502 1.3160 H 1 noname 0.0626 47 H15 3.1601 2.9482 -1.5704 H 1 noname 0.0626 48 H16 5.1977 8.4812 -2.4218 H 1 noname 0.0350 49 H17 6.1886 7.0507 -2.2467 H 1 noname 0.0350 50 H18 -0.0016 -0.4622 -0.1771 H 1 noname 0.0629 51 H19 2.6179 1.2369 -3.0588 H 1 noname 0.0629 52 H20 -1.1580 -1.0708 -1.9336 H 1 noname 0.0629 53 H21 2.7738 -0.9857 -3.6138 H 1 noname 0.0629 54 H22 9.0891 10.2290 -0.8665 H 1 noname 0.0631 55 H23 6.9922 8.2641 -4.0353 H 1 noname 0.0631 56 H24 -1.7162 -2.8514 -3.3492 H 1 noname 0.0638 57 H25 2.1488 -2.7068 -5.0926 H 1 noname 0.0638 58 H26 10.6554 11.0424 -2.4672 H 1 noname 0.0653 59 H27 8.5467 9.0801 -5.5767 H 1 noname 0.0653 @BOND 1 1 29 1 2 2 32 1 3 3 6 1 4 3 45 1 5 4 20 2 6 5 9 1 7 5 10 1 8 5 12 1 9 6 7 1 10 6 8 1 11 6 11 1 12 7 10 1 13 7 35 1 14 7 36 1 15 8 9 1 16 8 33 1 17 8 34 1 18 9 37 1 19 9 38 1 20 10 39 1 21 10 40 1 22 11 14 2 23 11 15 1 24 12 13 1 25 12 41 1 26 12 42 1 27 13 16 1 28 13 43 1 29 13 44 1 30 14 17 1 31 14 46 1 32 15 18 2 33 15 47 1 34 16 20 1 35 16 48 1 36 16 49 1 37 17 19 2 38 17 50 1 39 18 19 1 40 18 51 1 41 19 21 1 42 20 22 1 43 21 23 2 44 21 24 1 45 22 25 2 46 22 26 1 47 23 27 1 48 23 52 1 49 24 28 2 50 24 53 1 51 25 30 1 52 25 54 1 53 26 31 2 54 26 55 1 55 27 29 2 56 27 56 1 57 28 29 1 58 28 57 1 59 30 32 2 60 30 58 1 61 31 32 1 62 31 59 1 @SUBSTRUCTURE 1 noname 1