@MOLECULE 76972260 32 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -7.7630 -2.9912 0.4086 Cl 1 noname -0.1265 2 N1 -2.7348 -2.0355 0.7500 N.3 1 noname -0.3138 3 C1 -1.6854 -1.0185 0.7951 C.3 1 noname 0.0080 4 C2 -1.7267 -0.1858 -0.4878 C.3 1 noname 0.0146 5 C3 -4.0390 -1.3852 0.6328 C.3 1 noname -0.0034 6 C4 -0.3206 -1.6990 0.9178 C.3 1 noname -0.0494 7 C5 -0.6788 0.8298 -0.4427 C.2 1 noname -0.0568 8 C6 -5.1371 -2.4495 0.5855 C.3 1 noname -0.0270 9 C7 0.5862 0.5459 -0.9439 C.2 1 noname -0.0634 10 C8 -0.9462 2.0806 0.1015 C.2 1 noname -0.0634 11 C9 -6.5019 -1.7690 0.4629 C.3 1 noname 0.0235 12 C10 1.5839 1.5128 -0.9009 C.2 1 noname -0.0629 13 C11 0.0515 3.0475 0.1445 C.2 1 noname -0.0629 14 C12 1.3165 2.7636 -0.3568 C.2 1 noname -0.0682 15 H1 -1.8460 -0.3687 1.6554 H 1 noname 0.0465 16 H2 -2.6990 0.2990 -0.5751 H 1 noname 0.0332 17 H3 -1.5661 -0.8356 -1.3480 H 1 noname 0.0332 18 H4 -2.7072 -2.5917 1.6069 H 1 noname 0.1224 19 H5 -4.1996 -0.7354 1.4930 H 1 noname 0.0428 20 H6 -4.0683 -0.7920 -0.2812 H 1 noname 0.0428 21 H7 0.4617 -0.9408 0.9514 H 1 noname 0.0246 22 H8 -0.2912 -2.2923 1.8317 H 1 noname 0.0246 23 H9 -0.1600 -2.3488 0.0575 H 1 noname 0.0246 24 H10 -5.1077 -3.0428 1.4995 H 1 noname 0.0291 25 H11 -4.9765 -3.0994 -0.2748 H 1 noname 0.0291 26 H12 0.7824 -0.3719 -1.3432 H 1 noname 0.0625 27 H13 -1.8744 2.2889 0.4693 H 1 noname 0.0625 28 H14 -6.6625 -1.1192 1.3231 H 1 noname 0.0435 29 H15 -6.5313 -1.1758 -0.4511 H 1 noname 0.0435 30 H16 2.5122 1.3045 -1.2688 H 1 noname 0.0622 31 H17 -0.1447 3.9654 0.5438 H 1 noname 0.0622 32 H18 2.0486 3.4732 -0.3253 H 1 noname 0.0622 @BOND 1 1 11 1 2 3 2 1 3 2 5 1 4 2 18 1 5 3 4 1 6 3 6 1 7 3 15 1 8 4 7 1 9 4 16 1 10 4 17 1 11 5 8 1 12 5 19 1 13 5 20 1 14 6 21 1 15 6 22 1 16 6 23 1 17 7 9 2 18 7 10 1 19 8 11 1 20 8 24 1 21 8 25 1 22 9 12 1 23 9 26 1 24 10 13 2 25 10 27 1 26 11 28 1 27 11 29 1 28 12 14 2 29 12 30 1 30 13 14 1 31 13 31 1 32 14 32 1 @SUBSTRUCTURE 1 noname 1