@MOLECULE 71752187 60 63 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.3687 1.7060 -8.3400 Cl 1 noname -0.0730 2 Cl2 2.4799 0.4763 -8.4779 Cl 1 noname -0.0742 3 O1 6.7841 0.1137 0.6887 O.3 1 noname -0.3326 4 O2 4.6334 0.4254 0.2053 O.3 1 noname -0.1762 5 O3 6.0401 -0.9053 4.6675 O.3 1 noname -0.3873 6 O4 4.7441 1.3694 3.4228 O.3 1 noname -0.3849 7 O5 8.5207 -1.5546 3.0134 O.3 1 noname -0.3869 8 O6 3.1333 1.9042 1.2816 O.2 1 noname -0.2493 9 O7 5.9526 -2.2177 -0.8587 O.3 1 noname -0.2098 10 O8 5.4538 -2.9035 1.2278 O.2 1 noname -0.2442 11 N1 2.4272 0.6426 -0.6333 N.3 1 noname -0.0235 12 C1 1.0695 1.1613 -0.3418 C.3 1 noname 0.0444 13 C2 -0.0161 1.6311 -3.0864 C.3 1 noname 0.0445 14 C3 0.8692 2.6200 -0.8416 C.3 1 noname -0.0319 15 C4 0.8650 2.7100 -2.3750 C.3 1 noname -0.0404 16 C5 0.1774 0.1618 -0.9737 C.2 1 noname -0.0444 17 C6 -0.3483 0.3813 -2.3049 C.2 1 noname -0.0434 18 C7 6.4539 -0.3555 3.4253 C.3 1 noname 0.1139 19 C8 5.2258 0.2508 2.6928 C.3 1 noname 0.1340 20 C9 0.6163 1.3217 -4.4330 C.2 1 noname -0.0413 21 C10 7.1694 -1.4461 2.5910 C.3 1 noname 0.1186 22 C11 5.5872 0.6942 1.2382 C.3 1 noname 0.1972 23 C12 7.1220 -1.2590 1.0488 C.3 1 noname 0.1743 24 C13 -0.1126 -1.0444 -0.2497 C.2 1 noname -0.0517 25 C14 -1.2169 -0.6022 -2.8848 C.2 1 noname -0.0562 26 C15 3.3821 1.0746 0.3804 C.2 1 noname 0.0606 27 C16 2.7523 -0.1625 -1.7443 C.3 1 noname -0.0028 28 C17 -0.9554 -2.0073 -0.8638 C.2 1 noname -0.0626 29 C18 -1.5010 -1.7906 -2.1540 C.2 1 noname -0.0608 30 C19 -0.1090 1.6203 -5.6448 C.2 1 noname -0.0166 31 C20 1.9298 0.7170 -4.5193 C.2 1 noname -0.0470 32 C21 6.1332 -2.1692 0.4783 C.2 1 noname 0.1515 33 C22 0.4719 1.3526 -6.9207 C.2 1 noname 0.0182 34 C23 2.5208 0.4510 -5.7894 C.2 1 noname -0.0192 35 C24 1.7818 0.7783 -6.9721 C.2 1 noname 0.0141 36 H1 0.8457 1.2136 0.7358 H 1 noname 0.0523 37 H2 -0.9702 2.1585 -3.2156 H 1 noname 0.0402 38 H3 -0.0705 3.0117 -0.4521 H 1 noname 0.0286 39 H4 1.6377 3.2717 -0.4260 H 1 noname 0.0286 40 H5 0.5384 3.7043 -2.6797 H 1 noname 0.0277 41 H6 1.8903 2.5163 -2.6903 H 1 noname 0.0277 42 H7 7.1651 0.4462 3.6239 H 1 noname 0.0658 43 H8 4.4801 -0.5399 2.6103 H 1 noname 0.0682 44 H9 6.6566 -2.3878 2.7867 H 1 noname 0.0662 45 H10 5.7718 1.7697 1.2950 H 1 noname 0.0958 46 H11 8.0719 -1.5498 0.6004 H 1 noname 0.0743 47 H12 0.2762 -1.2045 0.6796 H 1 noname 0.0626 48 H13 -1.6251 -0.4523 -3.8074 H 1 noname 0.0625 49 H14 3.1491 -1.1167 -1.3978 H 1 noname 0.0400 50 H15 1.8571 -0.3365 -2.3413 H 1 noname 0.0400 51 H16 3.5021 0.3434 -2.3526 H 1 noname 0.0400 52 H17 -1.1725 -2.8715 -0.3674 H 1 noname 0.0622 53 H18 -2.1082 -2.4989 -2.5664 H 1 noname 0.0622 54 H19 -1.0434 2.0256 -5.5888 H 1 noname 0.0641 55 H20 2.4354 0.4800 -3.6657 H 1 noname 0.0626 56 H21 6.8150 -1.2878 5.1297 H 1 noname 0.2106 57 H22 4.4796 1.0834 4.3220 H 1 noname 0.2108 58 H23 8.5479 -1.7988 3.9621 H 1 noname 0.2107 59 H24 3.4504 0.0363 -5.8545 H 1 noname 0.0638 60 H25 5.0734 -2.4462 -1.2264 H 1 noname 0.2214 @BOND 1 1 33 1 2 2 35 1 3 3 22 1 4 3 23 1 5 22 4 1 6 4 26 1 7 18 5 1 8 5 56 1 9 19 6 1 10 6 57 1 11 21 7 1 12 7 58 1 13 8 26 2 14 9 32 1 15 9 60 1 16 10 32 2 17 12 11 1 18 11 26 1 19 11 27 1 20 12 14 1 21 12 16 1 22 12 36 1 23 13 15 1 24 13 17 1 25 13 20 1 26 13 37 1 27 14 15 1 28 14 38 1 29 14 39 1 30 15 40 1 31 15 41 1 32 16 17 1 33 16 24 2 34 17 25 2 35 18 19 1 36 18 21 1 37 18 42 1 38 19 22 1 39 19 43 1 40 20 30 2 41 20 31 1 42 21 23 1 43 21 44 1 44 22 45 1 45 23 32 1 46 23 46 1 47 24 28 1 48 24 47 1 49 25 29 1 50 25 48 1 51 27 49 1 52 27 50 1 53 27 51 1 54 28 29 2 55 28 52 1 56 29 53 1 57 30 33 1 58 30 54 1 59 31 34 2 60 31 55 1 61 33 35 2 62 34 35 1 63 34 59 1 @SUBSTRUCTURE 1 noname 1