@MOLECULE 24654 42 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 5.0653 -2.0283 -5.8006 Cl 1 noname -0.0706 2 C1 4.1923 -3.4643 -5.9482 C.2 1 noname 0.0389 3 C2 3.2203 -3.8381 -4.9533 C.2 1 noname 0.0484 4 C3 4.4027 -4.3335 -7.0628 C.2 1 noname -0.0144 5 C4 2.4584 -5.0457 -5.0474 C.2 1 noname 0.0389 6 C5 2.8575 -2.9882 -3.8262 C.2 1 noname 0.1047 7 C6 3.6294 -5.5369 -7.1520 C.2 1 noname -0.0235 8 Cl2 1.3355 -5.4423 -3.8524 Cl 1 noname -0.0706 9 C7 2.6599 -5.9089 -6.1627 C.2 1 noname -0.0144 10 O1 1.6657 -2.8292 -3.4846 O.2 1 noname -0.2734 11 N1 3.9155 -2.3514 -3.1365 N.3 1 noname -0.1174 12 C8 3.7871 -1.1730 -2.4666 C.2 1 noname 0.0668 13 C9 4.8226 -0.4924 -1.8637 C.2 1 noname -0.0118 14 C10 2.6771 -0.3782 -2.1966 C.2 1 noname 0.0559 15 N2 4.3780 0.6444 -1.3187 N.3 1 noname 0.0152 16 C11 6.1690 -1.0018 -1.7760 C.2 1 noname 0.0279 17 N3 3.1063 0.6989 -1.5073 N.2 1 noname -0.2713 18 O2 6.4969 -2.1522 -2.1388 O.2 1 noname -0.2867 19 N4 7.1092 -0.0333 -1.2191 N.3 1 noname -0.0675 20 C12 8.4629 -0.5580 -1.3673 C.3 1 noname 0.0168 21 C13 9.3713 0.2507 -0.3792 C.3 1 noname -0.0246 22 C14 8.9075 -0.6667 -2.8740 C.3 1 noname -0.0246 23 C15 10.7505 0.6308 -1.0246 C.3 1 noname -0.0033 24 C16 9.5647 0.6611 -3.3167 C.3 1 noname -0.0033 25 N5 10.7422 1.0456 -2.4752 N.3 1 noname -0.3165 26 H1 5.1372 -4.0841 -7.8286 H 1 noname 0.0638 27 H2 3.7848 -6.1955 -8.0065 H 1 noname 0.0623 28 H3 2.0865 -6.8311 -6.2568 H 1 noname 0.0638 29 H4 4.8341 -2.7709 -3.1212 H 1 noname 0.1375 30 H5 1.6415 -0.5682 -2.4788 H 1 noname 0.0874 31 H6 4.9179 1.3509 -0.8398 H 1 noname 0.1757 32 H7 6.8639 0.8527 -0.8008 H 1 noname 0.1317 33 H8 8.4634 -1.6013 -1.0518 H 1 noname 0.0470 34 H9 8.8533 1.1909 -0.1902 H 1 noname 0.0295 35 H10 9.5966 -0.4232 0.4475 H 1 noname 0.0295 36 H11 9.6861 -1.4279 -2.9239 H 1 noname 0.0295 37 H12 8.0003 -0.7752 -3.4684 H 1 noname 0.0295 38 H13 11.0947 1.5181 -0.4933 H 1 noname 0.0428 39 H14 11.3489 -0.2801 -1.0090 H 1 noname 0.0428 40 H15 9.9665 0.4913 -4.3156 H 1 noname 0.0428 41 H16 8.8244 1.4442 -3.1529 H 1 noname 0.0428 42 H17 11.5082 1.5693 -2.8743 H 1 noname 0.1222 @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 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 9 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 2 18 15 17 1 19 16 18 2 20 16 19 1 21 19 20 1 22 20 21 1 23 20 22 1 24 21 23 1 25 22 24 1 26 23 25 1 27 24 25 1 28 4 26 1 29 7 27 1 30 9 28 1 31 11 29 1 32 14 30 1 33 15 31 1 34 19 32 1 35 20 33 1 36 21 34 1 37 21 35 1 38 22 36 1 39 22 37 1 40 23 38 1 41 23 39 1 42 24 40 1 43 24 41 1 44 25 42 1 @SUBSTRUCTURE 1 noname 1