@MOLECULE 67027685 51 51 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.8134 1.6559 1.6466 Cl 1 noname -0.0727 2 Cl2 3.5909 2.7528 -1.1211 Cl 1 noname -0.0732 3 N1 -4.3218 -0.8971 3.3337 N.2 1 noname -0.2572 4 N2 -3.7518 -0.9478 1.1693 N.3 1 noname -0.0001 5 N3 -2.4530 -1.9688 2.7246 N.3 1 noname -0.1284 6 N4 -1.7613 -0.7323 0.1677 N.2 1 noname -0.2538 7 N5 -2.9186 -2.6290 -0.1064 N.3 1 noname -0.1282 8 C1 -6.0203 -0.4804 7.8802 C.3 1 noname -0.0532 9 C2 -5.7452 -0.8542 9.3381 C.3 1 noname -0.0533 10 C3 -4.9099 -1.0436 6.9910 C.3 1 noname -0.0515 11 C4 -6.8556 -0.2910 10.2272 C.3 1 noname -0.0535 12 C5 -5.1850 -0.6698 5.5331 C.3 1 noname -0.0334 13 C6 -6.5805 -0.6648 11.6852 C.3 1 noname -0.0561 14 C7 -4.0746 -1.2330 4.6439 C.3 1 noname 0.0418 15 C8 -7.6909 -0.1016 12.5743 C.3 1 noname -0.0654 16 C9 -3.5163 -1.2678 2.4176 C.2 1 noname -0.1077 17 C10 -2.8011 -1.4300 0.4080 C.2 1 noname -0.1064 18 C11 -0.7634 -1.2384 -0.6314 C.3 1 noname 0.0669 19 C12 0.3092 -0.2553 -0.7521 C.2 1 noname -0.0339 20 C13 0.9792 0.1852 0.3834 C.2 1 noname -0.0090 21 C14 0.6605 0.2403 -2.0023 C.2 1 noname -0.0395 22 C15 2.0003 1.1213 0.2686 C.2 1 noname 0.0209 23 C16 1.6816 1.1763 -2.1172 C.2 1 noname -0.0166 24 C17 2.3516 1.6168 -0.9817 C.2 1 noname 0.0185 25 H1 -6.9790 -0.8981 7.5727 H 1 noname 0.0266 26 H2 -6.0488 0.6048 7.7825 H 1 noname 0.0266 27 H3 -5.7167 -1.9394 9.4358 H 1 noname 0.0266 28 H4 -4.7865 -0.4364 9.6455 H 1 noname 0.0266 29 H5 -4.8814 -2.1288 7.0887 H 1 noname 0.0267 30 H6 -3.9512 -0.6259 7.2985 H 1 noname 0.0267 31 H7 -7.8143 -0.7087 9.9198 H 1 noname 0.0266 32 H8 -6.8841 0.7942 10.1295 H 1 noname 0.0266 33 H9 -6.1437 -1.0876 5.2256 H 1 noname 0.0285 34 H10 -5.2134 0.4154 5.4354 H 1 noname 0.0285 35 H11 -6.5520 -1.7500 11.7829 H 1 noname 0.0264 36 H12 -5.6218 -0.2470 11.9926 H 1 noname 0.0264 37 H13 -4.0461 -2.3182 4.7416 H 1 noname 0.0515 38 H14 -3.1159 -0.8153 4.9514 H 1 noname 0.0515 39 H15 -7.4949 -0.3679 13.6130 H 1 noname 0.0230 40 H16 -8.6496 -0.5193 12.2669 H 1 noname 0.0230 41 H17 -7.7194 0.9836 12.4766 H 1 noname 0.0230 42 H18 -4.6050 -1.3195 0.8957 H 1 noname 0.1392 43 H19 -2.4292 -2.1172 3.6829 H 1 noname 0.1267 44 H20 -2.4851 -2.8228 2.2658 H 1 noname 0.1267 45 H21 -1.1663 -1.4596 -1.6198 H 1 noname 0.0566 46 H22 -0.3701 -2.1525 -0.1865 H 1 noname 0.0566 47 H23 -3.7614 -3.0196 0.1731 H 1 noname 0.1267 48 H24 -2.8950 -2.5694 -1.0742 H 1 noname 0.1267 49 H25 0.7214 -0.1784 1.3009 H 1 noname 0.0642 50 H26 0.1689 -0.0830 -2.8355 H 1 noname 0.0626 51 H27 1.9394 1.5399 -3.0346 H 1 noname 0.0638 @BOND 1 1 22 1 2 2 24 1 3 3 14 1 4 3 16 2 5 4 16 1 6 4 17 1 7 4 42 1 8 5 16 1 9 5 43 1 10 5 44 1 11 6 17 2 12 6 18 1 13 7 17 1 14 7 47 1 15 7 48 1 16 8 9 1 17 8 10 1 18 8 25 1 19 8 26 1 20 9 11 1 21 9 27 1 22 9 28 1 23 10 12 1 24 10 29 1 25 10 30 1 26 11 13 1 27 11 31 1 28 11 32 1 29 12 14 1 30 12 33 1 31 12 34 1 32 13 15 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 15 39 1 38 15 40 1 39 15 41 1 40 18 19 1 41 18 45 1 42 18 46 1 43 19 20 2 44 19 21 1 45 20 22 1 46 20 49 1 47 21 23 2 48 21 50 1 49 22 24 2 50 23 24 1 51 23 51 1 @SUBSTRUCTURE 1 noname 1