@MOLECULE DB07264 48 51 1 SMALL USER_CHARGES @ATOM 1 Cl1 9.0198 0.9228 -3.0240 Cl 1 noname -0.0647 2 C1 7.6392 0.1941 -2.3846 C.2 1 noname 0.0386 3 C2 7.0910 -0.9218 -3.0063 C.2 1 noname 0.0517 4 C3 7.0499 0.7095 -1.2361 C.2 1 noname -0.0046 5 F1 7.6426 -1.4042 -4.0813 F 1 noname -0.1577 6 C4 5.9535 -1.5222 -2.4795 C.2 1 noname 0.0027 7 C5 5.9123 0.1090 -0.7093 C.2 1 noname -0.0403 8 C6 5.3641 -1.0068 -1.3310 C.2 1 noname -0.0349 9 C7 5.2636 0.6763 0.5549 C.3 1 noname 0.0627 10 N1 3.9376 1.0621 0.2702 N.3 1 noname -0.0657 11 C8 5.2601 -0.3434 1.5998 C.3 1 noname 0.0632 12 C9 3.6963 1.9929 -0.6630 C.2 1 noname 0.0162 13 O1 4.6580 0.1831 2.7731 O.3 1 noname -0.3942 14 O2 4.6468 2.5192 -1.2812 O.2 1 noname -0.2897 15 C10 2.3891 2.3732 -0.9437 C.2 1 noname -0.0530 16 N2 1.3675 2.3679 -0.0692 N.3 1 noname -0.0122 17 C11 1.9235 2.8212 -2.1740 C.2 1 noname 0.0087 18 C12 0.2601 2.7962 -0.6865 C.2 1 noname -0.0603 19 C13 0.5522 3.0515 -2.0237 C.2 1 noname -0.0079 20 C14 -0.4538 3.2381 -3.0042 C.2 1 noname 0.0457 21 N3 -1.7220 3.6195 -2.7583 N.2 1 noname -0.3043 22 C15 -0.3919 2.9563 -4.3673 C.2 1 noname 0.0243 23 N4 -2.4375 3.5490 -3.8343 N.3 1 noname -0.0403 24 C16 0.7279 2.5612 -5.0898 C.2 1 noname -0.0270 25 C17 -1.6787 3.1508 -4.8579 C.2 1 noname -0.0728 26 C18 1.9516 2.4107 -4.4479 C.2 1 noname -0.0058 27 C19 0.6241 2.3167 -6.4542 C.2 1 noname -0.0358 28 C20 3.0715 2.0157 -5.1704 C.2 1 noname -0.0064 29 C21 1.7439 1.9216 -7.1767 C.2 1 noname -0.0449 30 Cl2 4.5566 1.8331 -4.3914 Cl 1 noname -0.0836 31 C22 2.9676 1.7711 -6.5348 C.2 1 noname -0.0193 32 H1 7.4798 1.5845 -0.7486 H 1 noname 0.0642 33 H2 5.5236 -2.3972 -2.9670 H 1 noname 0.0653 34 H3 4.4721 -1.4776 -0.9178 H 1 noname 0.0627 35 H4 5.7684 1.5672 0.9287 H 1 noname 0.0544 36 H5 3.1416 0.6621 0.7462 H 1 noname 0.1321 37 H6 4.6127 -1.1520 1.2602 H 1 noname 0.0583 38 H7 6.2998 -0.5484 1.8551 H 1 noname 0.0583 39 H8 4.3691 -0.5388 3.3361 H 1 noname 0.2101 40 H9 1.4232 2.0864 0.8992 H 1 noname 0.1523 41 H10 2.5163 2.9637 -3.0776 H 1 noname 0.0651 42 H11 -0.7034 2.9153 -0.1908 H 1 noname 0.0796 43 H12 -3.4229 3.7681 -3.8694 H 1 noname 0.1747 44 H13 -2.0348 3.0134 -5.8789 H 1 noname 0.0813 45 H14 2.0331 2.6025 -3.3780 H 1 noname 0.0644 46 H15 -0.3355 2.4347 -6.9575 H 1 noname 0.0629 47 H16 1.6625 1.7299 -8.2466 H 1 noname 0.0623 48 H17 3.8458 1.4614 -7.1014 H 1 noname 0.0638 @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 6 8 2 8 7 9 1 9 7 8 1 10 9 10 1 11 9 11 1 12 10 12 1 13 11 13 1 14 12 14 2 15 12 15 1 16 15 16 1 17 15 17 2 18 16 18 1 19 17 19 1 20 18 19 2 21 19 20 1 22 20 21 2 23 20 22 1 24 21 23 1 25 22 24 1 26 22 25 2 27 23 25 1 28 24 26 2 29 24 27 1 30 26 28 1 31 27 29 2 32 28 30 1 33 28 31 2 34 29 31 1 35 4 32 1 36 6 33 1 37 8 34 1 38 9 35 1 39 10 36 1 40 11 37 1 41 11 38 1 42 13 39 1 43 16 40 1 44 17 41 1 45 18 42 1 46 23 43 1 47 25 44 1 48 26 45 1 49 27 46 1 50 29 47 1 51 31 48 1 @SUBSTRUCTURE 1 noname 1