@MOLECULE DB00939 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.0938 -0.9137 -1.7722 Cl 1 noname -0.0799 2 C1 0.2643 0.0781 -0.4183 C.2 1 noname -0.0147 3 C2 1.2756 -0.1704 0.5024 C.2 1 noname 0.0298 4 C3 -0.6065 1.1439 -0.2234 C.2 1 noname -0.0240 5 N1 2.1151 -1.1978 0.3145 N.3 1 noname -0.0010 6 C4 1.4161 0.6468 1.6180 C.2 1 noname -0.0180 7 C5 -0.4660 1.9611 0.8922 C.2 1 noname -0.0724 8 C6 -1.6687 1.4049 -1.1904 C.3 1 noname 0.0074 9 C7 3.1723 -0.7861 -0.3986 C.2 1 noname 0.0198 10 Cl2 2.6435 0.3452 2.7353 Cl 1 noname -0.0814 11 C8 0.5453 1.7126 1.8129 C.2 1 noname -0.0282 12 C9 4.1848 -1.6823 -0.7209 C.2 1 noname -0.0077 13 C10 3.2566 0.5371 -0.8158 C.2 1 noname -0.0430 14 C11 4.1005 -3.0055 -0.3037 C.2 1 noname 0.0854 15 C12 5.2815 -1.2552 -1.4606 C.2 1 noname -0.0086 16 C13 4.3533 0.9642 -1.5554 C.2 1 noname -0.0372 17 O1 5.0110 -3.8114 -0.5937 O.2 1 noname -0.2586 18 O2 3.0354 -3.4203 0.4146 O.3 1 noname -0.2183 19 C14 5.3657 0.0680 -1.8778 C.2 1 noname -0.0672 20 H1 1.9730 -2.1371 0.6572 H 1 noname 0.1343 21 H2 -1.1488 2.7968 1.0451 H 1 noname 0.0626 22 H3 -2.5940 1.6323 -0.6611 H 1 noname 0.0280 23 H4 -1.3902 2.2529 -1.8160 H 1 noname 0.0280 24 H5 -1.8149 0.5244 -1.8160 H 1 noname 0.0280 25 H6 0.6555 2.3534 2.6877 H 1 noname 0.0638 26 H7 2.4627 1.2399 -0.5629 H 1 noname 0.0639 27 H8 6.0754 -1.9580 -1.7134 H 1 noname 0.0631 28 H9 4.4193 2.0018 -1.8825 H 1 noname 0.0623 29 H10 3.2317 -3.3438 1.3512 H 1 noname 0.2216 30 H11 6.2257 0.4029 -2.4578 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 6 10 1 10 6 11 2 11 7 11 1 12 9 12 2 13 9 13 1 14 12 14 1 15 12 15 1 16 13 16 2 17 14 17 2 18 14 18 1 19 15 19 2 20 16 19 1 21 5 20 1 22 7 21 1 23 8 22 1 24 8 23 1 25 8 24 1 26 11 25 1 27 13 26 1 28 15 27 1 29 16 28 1 30 18 29 1 31 19 30 1 @SUBSTRUCTURE 1 noname 1