@MOLECULE 90478871 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.1275 1.7947 -4.0848 Cl 1 noname -0.0845 2 O1 -0.5665 -2.1193 0.4074 O.3 1 noname -0.3778 3 O2 1.3443 -0.6157 1.8267 O.3 1 noname -0.3925 4 C1 -0.6679 -0.7063 0.5043 C.3 1 noname 0.1377 5 C2 0.0207 -0.0902 -0.6261 C.2 1 noname -0.0341 6 C3 -2.0750 -0.3171 0.4879 C.2 1 noname -0.0382 7 C4 -0.0242 -0.2372 1.8107 C.3 1 noname 0.0805 8 C5 0.6060 1.1626 -0.4845 C.2 1 noname -0.0358 9 C6 0.0910 -0.7565 -1.8440 C.2 1 noname -0.0358 10 C7 -2.8717 -0.6367 -0.6053 C.2 1 noname -0.0463 11 C8 -2.6178 0.3731 1.5654 C.2 1 noname -0.0463 12 C9 1.2615 1.7491 -1.5607 C.2 1 noname -0.0229 13 C10 0.7466 -0.1700 -2.9202 C.2 1 noname -0.0229 14 C11 -4.2113 -0.2661 -0.6210 C.2 1 noname -0.0576 15 C12 -3.9574 0.7436 1.5498 C.2 1 noname -0.0576 16 C13 1.3319 1.0829 -2.7786 C.2 1 noname -0.0118 17 C14 -4.7542 0.4240 0.4565 C.2 1 noname -0.0609 18 H1 -0.5383 -0.6971 2.6547 H 1 noname 0.0601 19 H2 -0.1021 0.8475 1.8851 H 1 noname 0.0601 20 H3 0.5544 1.6515 0.4092 H 1 noname 0.0627 21 H4 -0.3384 -1.6758 -1.9479 H 1 noname 0.0627 22 H5 -2.4734 -1.1431 -1.3961 H 1 noname 0.0626 23 H6 -2.0331 0.6076 2.3676 H 1 noname 0.0626 24 H7 -1.0287 -2.5328 1.1661 H 1 noname 0.2119 25 H8 1.6910 2.6685 -1.4568 H 1 noname 0.0638 26 H9 0.7982 -0.6589 -3.8139 H 1 noname 0.0638 27 H10 -4.7960 -0.5007 -1.4232 H 1 noname 0.0622 28 H11 -4.3558 1.2501 2.3405 H 1 noname 0.0622 29 H12 -5.7372 0.6959 0.4451 H 1 noname 0.0622 30 H13 1.7566 -0.3153 2.6635 H 1 noname 0.2101 @BOND 1 1 16 1 2 4 2 1 3 2 24 1 4 3 7 1 5 3 30 1 6 4 5 1 7 4 6 1 8 4 7 1 9 5 8 2 10 5 9 1 11 6 10 2 12 6 11 1 13 7 18 1 14 7 19 1 15 8 12 1 16 8 20 1 17 9 13 2 18 9 21 1 19 10 14 1 20 10 22 1 21 11 15 2 22 11 23 1 23 12 16 2 24 12 25 1 25 13 16 1 26 13 26 1 27 14 17 2 28 14 27 1 29 15 17 1 30 15 28 1 31 17 29 1 @SUBSTRUCTURE 1 noname 1