@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3492 63 65 1 SMALL USER_CHARGES @ATOM 1 Cl1 17.4566 -6.0952 1.1633 Cl 1 noname -0.0771 2 C1 17.6175 -5.9691 -0.5246 C.2 1 noname 0.0131 3 C2 16.6104 -6.3861 -1.4396 C.2 1 noname 0.0259 4 C3 18.8265 -5.4331 -1.0056 C.2 1 noname -0.0214 5 C4 16.8504 -6.2541 -2.8356 C.2 1 noname 0.0131 6 C5 15.3914 -6.9431 -0.9665 C.2 1 noname 0.0436 7 C6 19.0505 -5.3060 -2.3826 C.2 1 noname -0.0389 8 Cl2 15.7253 -6.7130 -4.0256 Cl 1 noname -0.0771 9 C7 18.0674 -5.7150 -3.2936 C.2 1 noname -0.0214 10 C8 15.1823 -8.3430 -0.9155 C.2 1 noname 0.0843 11 C9 14.3552 -6.0880 -0.5365 C.2 1 noname 0.0089 12 N1 13.9932 -8.8180 -0.4574 N.2 1 noname -0.1669 13 N2 16.1463 -9.1580 -1.3124 N.2 1 noname -0.1993 14 C10 13.1422 -6.6229 -0.0714 C.2 1 noname 0.0070 15 C11 12.9801 -8.0230 -0.0403 C.2 1 noname 0.0640 16 C12 16.2022 -10.4680 -1.3564 C.2 1 noname -0.1179 17 C13 12.0621 -5.8429 0.3715 C.2 1 noname 0.0308 18 N3 11.8230 -8.5699 0.4007 N.2 1 noname -0.1924 19 N4 17.3172 -11.0680 -1.8213 N.3 1 noname -0.1196 20 N5 15.1951 -11.2590 -0.9543 N.3 1 noname -0.1287 21 N6 10.9280 -6.4458 0.8025 N.2 1 noname -0.2262 22 C14 10.7970 -7.7958 0.8227 C.2 1 noname 0.0982 23 C15 18.4482 -10.3409 -2.2793 C.3 1 noname -0.0005 24 N7 9.6679 -8.3918 1.2458 N.3 1 noname -0.0681 25 C16 19.5352 -11.3149 -2.7453 C.3 1 noname -0.0522 26 C17 8.5318 -7.6667 1.6899 C.3 1 noname 0.0041 27 C18 7.3887 -8.6296 2.0479 C.3 1 noname -0.0273 28 C19 6.9866 -9.5106 0.8519 C.3 1 noname -0.0006 29 N8 6.6785 -8.6785 -0.3339 N.3 1 noname -0.3037 30 C20 6.9305 -9.4235 -1.5879 C.3 1 noname -0.0046 31 C21 5.2884 -8.1754 -0.2729 C.3 1 noname -0.0046 32 C22 8.4315 -9.4264 -1.9138 C.3 1 noname -0.0524 33 C23 5.1304 -6.9054 -1.1188 C.3 1 noname -0.0524 34 H1 19.5575 -5.1320 -0.3575 H 1 noname 0.0638 35 H2 19.9304 -4.9159 -2.7226 H 1 noname 0.0623 36 H3 18.2493 -5.6150 -4.2936 H 1 noname 0.0638 37 H4 14.4852 -5.0739 -0.5634 H 1 noname 0.0638 38 H5 12.1230 -4.8238 0.3725 H 1 noname 0.0848 39 H6 17.3482 -12.0360 -1.8473 H 1 noname 0.1306 40 H7 15.2801 -12.2219 -1.0012 H 1 noname 0.1267 41 H8 14.3781 -10.8599 -0.6142 H 1 noname 0.1267 42 H9 18.1641 -9.6989 -3.1153 H 1 noname 0.0430 43 H10 18.8462 -9.7238 -1.4712 H 1 noname 0.0430 44 H11 9.6279 -9.3598 1.2318 H 1 noname 0.1312 45 H12 20.3982 -10.7508 -3.0992 H 1 noname 0.0243 46 H13 19.8392 -11.9538 -1.9152 H 1 noname 0.0243 47 H14 19.1532 -11.9339 -3.5583 H 1 noname 0.0243 48 H15 8.1947 -6.9886 0.9029 H 1 noname 0.0433 49 H16 8.7917 -7.0816 2.5730 H 1 noname 0.0433 50 H17 6.5286 -8.0466 2.3780 H 1 noname 0.0293 51 H18 7.7057 -9.2726 2.8700 H 1 noname 0.0293 52 H19 7.8186 -10.1826 0.6420 H 1 noname 0.0431 53 H20 6.1235 -10.1216 1.1220 H 1 noname 0.0431 54 H21 6.5684 -10.4495 -1.5028 H 1 noname 0.0427 55 H22 6.4184 -8.9454 -2.4229 H 1 noname 0.0427 56 H23 4.5904 -8.9394 -0.6198 H 1 noname 0.0427 57 H24 5.0294 -7.9134 0.7531 H 1 noname 0.0427 58 H25 8.5885 -9.8944 -2.8848 H 1 noname 0.0243 59 H26 8.7984 -8.4004 -1.9468 H 1 noname 0.0243 60 H27 8.9865 -9.9814 -1.1588 H 1 noname 0.0243 61 H28 4.1263 -6.5033 -0.9808 H 1 noname 0.0243 62 H29 5.8604 -6.1613 -0.7988 H 1 noname 0.0243 63 H30 5.2804 -7.1263 -2.1748 H 1 noname 0.0243 @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 4 34 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 11 2 12 7 9 1 13 7 35 1 14 9 36 1 15 10 12 2 16 10 13 1 17 11 14 1 18 11 37 1 19 12 15 1 20 13 16 2 21 14 17 2 22 14 15 1 23 15 18 2 24 16 19 1 25 16 20 1 26 17 21 1 27 17 38 1 28 18 22 1 29 19 23 1 30 19 39 1 31 20 40 1 32 20 41 1 33 21 22 2 34 22 24 1 35 23 25 1 36 23 42 1 37 23 43 1 38 24 26 1 39 24 44 1 40 25 45 1 41 25 46 1 42 25 47 1 43 26 27 1 44 26 48 1 45 26 49 1 46 27 28 1 47 27 50 1 48 27 51 1 49 28 29 1 50 28 52 1 51 28 53 1 52 29 30 1 53 29 31 1 54 30 32 1 55 30 54 1 56 30 55 1 57 31 33 1 58 31 56 1 59 31 57 1 60 32 58 1 61 32 59 1 62 32 60 1 63 33 61 1 64 33 62 1 65 33 63 1 @SUBSTRUCTURE 1 noname 1