@MOLECULE 92135809 33 36 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.8733 5.7458 4.4702 Cl 1 noname -0.0845 2 O1 1.6551 2.3985 -1.1935 O.3 1 noname -0.3669 3 N1 -0.5577 1.7800 -0.7480 N.3 1 noname -0.0870 4 N2 -2.2141 0.4635 -1.1577 N.2 1 noname -0.2561 5 C1 0.7570 1.9417 -0.1927 C.3 1 noname 0.1768 6 C2 1.0502 0.5094 0.1121 C.2 1 noname -0.0074 7 C3 -1.0276 0.5768 -0.6984 C.2 1 noname -0.0508 8 C4 -1.4303 2.6176 -1.4755 C.3 1 noname 0.0277 9 C5 -0.0756 -0.2761 -0.2417 C.2 1 noname -0.0059 10 C6 0.7870 2.9226 1.0096 C.2 1 noname -0.0283 11 C7 -2.6560 1.6922 -1.6264 C.3 1 noname 0.0542 12 C8 2.2604 -0.1301 0.5472 C.2 1 noname -0.0328 13 C9 -0.0640 -1.7064 -0.1940 C.2 1 noname -0.0306 14 C10 -0.0142 2.6852 2.1203 C.2 1 noname -0.0318 15 C11 1.6151 4.0384 0.9757 C.2 1 noname -0.0318 16 C12 2.2767 -1.5572 0.6417 C.2 1 noname -0.0514 17 C13 1.1334 -2.3290 0.2611 C.2 1 noname -0.0510 18 C14 0.0126 3.5637 3.1972 C.2 1 noname -0.0219 19 C15 1.6420 4.9169 2.0525 C.2 1 noname -0.0219 20 C16 0.8407 4.6796 3.1633 C.2 1 noname -0.0115 21 H1 -1.6990 3.4799 -0.8654 H 1 noname 0.0455 22 H2 -0.9865 2.8762 -2.4369 H 1 noname 0.0455 23 H3 -3.4647 2.0539 -0.9912 H 1 noname 0.0528 24 H4 -3.0314 1.6472 -2.6487 H 1 noname 0.0528 25 H5 3.0869 0.4192 0.7828 H 1 noname 0.0627 26 H6 -0.8770 -2.2554 -0.4734 H 1 noname 0.0630 27 H7 1.6916 1.7448 -1.9227 H 1 noname 0.2132 28 H8 -0.6219 1.8664 2.1452 H 1 noname 0.0627 29 H9 2.2031 4.2126 0.1606 H 1 noname 0.0627 30 H10 3.1130 -2.0302 0.9842 H 1 noname 0.0622 31 H11 1.1769 -3.3466 0.3169 H 1 noname 0.0622 32 H12 -0.5754 3.3896 4.0122 H 1 noname 0.0638 33 H13 2.2497 5.7358 2.0277 H 1 noname 0.0638 @BOND 1 1 20 1 2 5 2 1 3 2 27 1 4 3 5 1 5 3 7 1 6 3 8 1 7 4 7 2 8 4 11 1 9 5 6 1 10 5 10 1 11 6 9 1 12 6 12 2 13 7 9 1 14 8 11 1 15 8 21 1 16 8 22 1 17 9 13 2 18 10 14 2 19 10 15 1 20 11 23 1 21 11 24 1 22 12 16 1 23 12 25 1 24 13 17 1 25 13 26 1 26 14 18 1 27 14 28 1 28 15 19 2 29 15 29 1 30 16 17 2 31 16 30 1 32 17 31 1 33 18 20 2 34 18 32 1 35 19 20 1 36 19 33 1 @SUBSTRUCTURE 1 noname 1