@MOLECULE 90479558 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.0777 -5.3428 -0.0646 Cl 1 noname -0.0836 2 N1 1.7699 1.3279 0.7049 N.2 1 noname -0.2831 3 N2 -0.2011 2.4559 0.4238 N.2 1 noname -0.2648 4 N3 -2.1387 1.6206 0.1596 N.3 1 noname -0.1126 5 N4 1.7486 3.6603 0.6956 N.3 1 noname -0.0806 6 C1 -0.2298 -0.0153 0.3325 C.2 1 noname -0.0354 7 C2 1.1838 0.1005 0.6245 C.2 1 noname 0.0167 8 C3 2.2149 -0.9487 0.9081 C.3 1 noname 0.0442 9 C4 -0.9682 -1.2849 0.1171 C.2 1 noname -0.0332 10 C5 -0.8556 1.2818 0.3058 C.2 1 noname 0.0398 11 C6 -2.3938 -1.4352 0.0717 C.2 1 noname -0.0324 12 C7 -0.2960 -2.5213 -0.0881 C.2 1 noname -0.0324 13 C8 1.9180 -1.8649 2.1210 C.3 1 noname -0.0598 14 C9 1.1135 2.4905 0.5993 C.2 1 noname 0.0722 15 C10 -3.0464 -2.6764 -0.0222 C.2 1 noname -0.0212 16 C11 -0.9091 -3.7723 0.0778 C.2 1 noname -0.0212 17 C12 -2.3007 -3.8584 0.0385 C.2 1 noname -0.0085 18 H1 2.4284 -1.5293 0.0159 H 1 noname 0.0329 19 H2 3.1863 -0.4919 1.1366 H 1 noname 0.0329 20 H3 -3.0471 -0.6766 0.0827 H 1 noname 0.0629 21 H4 0.6648 -2.5718 -0.3548 H 1 noname 0.0629 22 H5 2.7240 -2.5899 2.2464 H 1 noname 0.0234 23 H6 1.0092 -2.4348 2.0090 H 1 noname 0.0234 24 H7 1.8084 -1.2835 3.0337 H 1 noname 0.0234 25 H8 -4.0646 -2.6785 -0.1377 H 1 noname 0.0638 26 H9 -0.3415 -4.6104 0.1831 H 1 noname 0.0638 27 H10 -2.8129 0.9699 0.0454 H 1 noname 0.1258 28 H11 -2.3949 2.2306 0.8690 H 1 noname 0.1258 29 H12 2.6942 3.5035 0.8439 H 1 noname 0.1273 30 H13 1.3842 4.1657 1.4390 H 1 noname 0.1273 @BOND 1 1 17 1 2 2 7 1 3 2 14 2 4 3 10 2 5 3 14 1 6 4 10 1 7 4 27 1 8 4 28 1 9 5 14 1 10 5 29 1 11 5 30 1 12 6 7 2 13 6 9 1 14 6 10 1 15 7 8 1 16 8 13 1 17 8 18 1 18 8 19 1 19 9 11 2 20 9 12 1 21 11 15 1 22 11 20 1 23 12 16 2 24 12 21 1 25 13 22 1 26 13 23 1 27 13 24 1 28 15 17 2 29 15 25 1 30 16 17 1 31 16 26 1 @SUBSTRUCTURE 1 noname 1