@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3457 65 67 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.4188 2.5084 -4.0335 Cl 1 noname -0.0774 2 C1 3.6208 2.7285 -2.8515 C.2 1 noname 0.0115 3 C2 3.4437 2.3845 -1.4824 C.2 1 noname 0.0254 4 C3 4.8388 3.2865 -3.2854 C.2 1 noname -0.0217 5 C4 4.5117 2.6106 -0.5703 C.2 1 noname 0.0115 6 C5 2.2226 1.8135 -1.0333 C.2 1 noname 0.0287 7 C6 5.8827 3.5066 -2.3774 C.2 1 noname -0.0405 8 Cl2 4.4276 2.2226 1.0837 Cl 1 noname -0.0774 9 C7 5.7196 3.1706 -1.0263 C.2 1 noname -0.0217 10 C8 1.9336 0.4375 -1.2113 C.2 1 noname 0.0663 11 C9 1.2665 2.6306 -0.3912 C.2 1 noname 0.0053 12 N1 0.7515 -0.0453 -0.7482 N.2 1 noname -0.1813 13 N2 2.8365 -0.3813 -1.8152 N.3 1 noname -0.1054 14 C10 0.0575 2.0826 0.0707 C.2 1 noname 0.0057 15 C11 -0.1785 0.7086 -0.1231 C.2 1 noname 0.0617 16 C12 2.6885 -1.6963 -2.1012 C.2 1 noname 0.0457 17 C13 -0.9465 2.8137 0.7248 C.2 1 noname 0.0308 18 N3 -1.3216 0.1406 0.3178 N.2 1 noname -0.1914 19 O1 3.6815 -2.2663 -2.6042 O.2 1 noname -0.2730 20 N4 1.5384 -2.3813 -1.8881 N.3 1 noname -0.0539 21 N5 -2.0736 2.1858 1.1419 N.2 1 noname -0.2248 22 C14 -2.2816 0.8567 0.9519 C.2 1 noname 0.0994 23 C15 1.3214 -3.7623 -2.1611 C.3 1 noname 0.0182 24 N6 -3.4167 0.2487 1.4039 N.3 1 noname -0.0605 25 C16 -0.1526 -4.0472 -1.8220 C.3 1 noname -0.0469 26 C17 1.5453 -4.0992 -3.6490 C.3 1 noname -0.0469 27 C18 2.2114 -4.6473 -1.2690 C.3 1 noname -0.0469 28 C19 -3.6277 -1.1582 1.2410 C.3 1 noname 0.0069 29 C20 -4.4098 1.0118 2.0880 C.3 1 noname -0.0055 30 C21 -3.4158 -1.8761 2.5851 C.3 1 noname -0.0271 31 C22 -3.2498 -3.3941 2.3991 C.3 1 noname -0.0012 32 N7 -2.1198 -3.7501 1.5102 N.3 1 noname -0.3092 33 C23 -0.8259 -3.3050 2.0652 C.3 1 noname -0.0136 34 C24 -2.0919 -5.2111 1.3172 C.3 1 noname -0.0136 35 H1 4.9757 3.5386 -4.2654 H 1 noname 0.0638 36 H2 6.7627 3.9116 -2.7003 H 1 noname 0.0623 37 H3 6.4936 3.3347 -0.3802 H 1 noname 0.0638 38 H4 1.4545 3.6267 -0.2552 H 1 noname 0.0638 39 H5 3.6845 0.0156 -2.0682 H 1 noname 0.1400 40 H6 -0.8345 3.8148 0.8939 H 1 noname 0.0848 41 H7 0.7923 -1.8872 -1.5191 H 1 noname 0.1329 42 H8 -0.3707 -5.1062 -1.9640 H 1 noname 0.0249 43 H9 -0.3547 -3.7782 -0.7859 H 1 noname 0.0249 44 H10 -0.8037 -3.4601 -2.4710 H 1 noname 0.0249 45 H11 1.2333 -5.1252 -3.8450 H 1 noname 0.0249 46 H12 0.9593 -3.4221 -4.2730 H 1 noname 0.0249 47 H13 2.5993 -4.0002 -3.9080 H 1 noname 0.0249 48 H14 1.9643 -5.6982 -1.4270 H 1 noname 0.0249 49 H15 3.2623 -4.4942 -1.5140 H 1 noname 0.0249 50 H16 2.0493 -4.3962 -0.2200 H 1 noname 0.0249 51 H17 -2.9478 -1.5841 0.5020 H 1 noname 0.0436 52 H18 -4.6448 -1.3381 0.8910 H 1 noname 0.0436 53 H19 -5.2478 0.3809 2.3881 H 1 noname 0.0399 54 H20 -3.9778 1.4639 2.9831 H 1 noname 0.0399 55 H21 -4.7858 1.7999 1.4341 H 1 noname 0.0399 56 H22 -4.2789 -1.6921 3.2272 H 1 noname 0.0293 57 H23 -2.5308 -1.4761 3.0801 H 1 noname 0.0293 58 H24 -4.1749 -3.7831 1.9712 H 1 noname 0.0430 59 H25 -3.1048 -3.8511 3.3802 H 1 noname 0.0430 60 H26 -0.0049 -3.6960 1.4633 H 1 noname 0.0394 61 H27 -0.7689 -2.2169 2.0473 H 1 noname 0.0394 62 H28 -0.7099 -3.6570 3.0923 H 1 noname 0.0394 63 H29 -1.2839 -5.4790 0.6353 H 1 noname 0.0394 64 H30 -1.9359 -5.7191 2.2713 H 1 noname 0.0394 65 H31 -3.0359 -5.5441 0.8843 H 1 noname 0.0394 @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 35 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 11 2 12 7 9 1 13 7 36 1 14 9 37 1 15 10 12 2 16 10 13 1 17 11 14 1 18 11 38 1 19 12 15 1 20 13 16 1 21 13 39 1 22 14 17 2 23 14 15 1 24 15 18 2 25 16 19 2 26 16 20 1 27 17 21 1 28 17 40 1 29 18 22 1 30 20 23 1 31 20 41 1 32 21 22 2 33 22 24 1 34 23 25 1 35 23 26 1 36 23 27 1 37 24 28 1 38 24 29 1 39 25 42 1 40 25 43 1 41 25 44 1 42 26 45 1 43 26 46 1 44 26 47 1 45 27 48 1 46 27 49 1 47 27 50 1 48 28 30 1 49 28 51 1 50 28 52 1 51 29 53 1 52 29 54 1 53 29 55 1 54 30 31 1 55 30 56 1 56 30 57 1 57 31 32 1 58 31 58 1 59 31 59 1 60 32 33 1 61 32 34 1 62 33 60 1 63 33 61 1 64 33 62 1 65 34 63 1 66 34 64 1 67 34 65 1 @SUBSTRUCTURE 1 noname 1