@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440365 57 60 1 SMALL USER_CHARGES @ATOM 1 Cl1 38.3768 -6.2818 1.1481 Cl 1 noname -0.0235 2 C1 36.8828 -6.9807 1.5262 C.2 1 noname 0.0872 3 N1 36.1778 -6.6607 2.6172 N.2 1 noname -0.1962 4 C2 36.1748 -7.9386 0.8012 C.2 1 noname 0.0086 5 C3 35.0588 -7.3976 2.5732 C.2 1 noname -0.0228 6 Cl2 36.6667 -8.5826 -0.6916 Cl 1 noname -0.0488 7 N2 35.0308 -8.1906 1.4812 N.3 1 noname 0.0017 8 C4 34.0107 -9.0595 1.1783 C.2 1 noname -0.0195 9 C5 32.6628 -8.6754 1.3593 C.2 1 noname -0.0436 10 C6 34.2717 -10.3694 0.7183 C.2 1 noname -0.0436 11 C7 31.6108 -9.5654 1.0833 C.2 1 noname -0.0323 12 C8 33.2237 -11.2583 0.4324 C.2 1 noname -0.0323 13 C9 31.8847 -10.8593 0.6074 C.2 1 noname -0.0439 14 N3 30.8537 -11.7052 0.3655 N.3 1 noname -0.1314 15 C10 30.5886 -12.2871 -0.8273 C.2 1 noname 0.1241 16 O1 29.5986 -13.0510 -0.8593 O.2 1 noname -0.2533 17 N4 31.3466 -12.0221 -1.9252 N.3 1 noname -0.1121 18 C11 31.2115 -12.5240 -3.1821 C.2 1 noname -0.0192 19 N5 31.9824 -12.1880 -4.2470 N.3 1 noname 0.0058 20 C12 30.3155 -13.4869 -3.6300 C.2 1 noname 0.0291 21 N6 31.6294 -12.8989 -5.2789 N.2 1 noname -0.3044 22 C13 32.9933 -11.2600 -4.3120 C.2 1 noname -0.0222 23 C14 30.6094 -13.7129 -4.9630 C.2 1 noname 0.0308 24 C15 32.9913 -10.0780 -3.5360 C.2 1 noname -0.0466 25 C16 34.0643 -11.4599 -5.2099 C.2 1 noname -0.0466 26 C17 29.9374 -14.6748 -5.8679 C.3 1 noname 0.0585 27 C18 34.0322 -9.1390 -3.6429 C.2 1 noname -0.0625 28 C19 35.1062 -10.5229 -5.3208 C.2 1 noname -0.0625 29 C20 30.5613 -14.6298 -7.2788 C.3 1 noname -0.0545 30 C21 30.0814 -16.1107 -5.3229 C.3 1 noname -0.0545 31 C22 28.4364 -14.3348 -5.9928 C.3 1 noname -0.0545 32 C23 35.0961 -9.3539 -4.5378 C.2 1 noname -0.0776 33 C24 36.1700 -8.3549 -4.6488 C.3 1 noname -0.0059 34 H1 34.3308 -7.3616 3.2892 H 1 noname 0.1020 35 H2 32.4397 -7.7365 1.6923 H 1 noname 0.0643 36 H3 35.2336 -10.6913 0.6074 H 1 noname 0.0643 37 H4 30.6458 -9.2643 1.2254 H 1 noname 0.0640 38 H5 33.4386 -12.2012 0.1064 H 1 noname 0.0640 39 H6 30.2377 -11.8851 1.0925 H 1 noname 0.1385 40 H7 32.0715 -11.3960 -1.7922 H 1 noname 0.1398 41 H8 29.5955 -13.9618 -3.0860 H 1 noname 0.0674 42 H9 32.2182 -9.8780 -2.9020 H 1 noname 0.0643 43 H10 34.0912 -12.2998 -5.7898 H 1 noname 0.0643 44 H11 34.0071 -8.2920 -3.0729 H 1 noname 0.0626 45 H12 35.8691 -10.6949 -5.9768 H 1 noname 0.0626 46 H13 31.6202 -14.8857 -7.2287 H 1 noname 0.0240 47 H14 30.4543 -13.6308 -7.7057 H 1 noname 0.0240 48 H15 30.0563 -15.3457 -7.9287 H 1 noname 0.0240 49 H16 29.6054 -16.1976 -4.3449 H 1 noname 0.0240 50 H17 31.1373 -16.3726 -5.2298 H 1 noname 0.0240 51 H18 29.6033 -16.8137 -6.0068 H 1 noname 0.0240 52 H19 27.9494 -14.4047 -5.0188 H 1 noname 0.0240 53 H20 28.3114 -13.3238 -6.3828 H 1 noname 0.0240 54 H21 27.9564 -15.0367 -6.6748 H 1 noname 0.0240 55 H22 36.9139 -8.6569 -5.3887 H 1 noname 0.0279 56 H23 35.7480 -7.3959 -4.9497 H 1 noname 0.0279 57 H24 36.6649 -8.2399 -3.6848 H 1 noname 0.0279 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 2 5 4 6 1 6 4 7 1 7 5 7 1 8 5 34 1 9 7 8 1 10 8 9 2 11 8 10 1 12 9 11 1 13 9 35 1 14 10 12 2 15 10 36 1 16 11 13 2 17 11 37 1 18 12 13 1 19 12 38 1 20 13 14 1 21 14 15 1 22 14 39 1 23 15 16 2 24 15 17 1 25 17 18 1 26 17 40 1 27 18 19 1 28 18 20 2 29 19 21 1 30 19 22 1 31 20 23 1 32 20 41 1 33 21 23 2 34 22 24 2 35 22 25 1 36 23 26 1 37 24 27 1 38 24 42 1 39 25 28 2 40 25 43 1 41 26 29 1 42 26 30 1 43 26 31 1 44 27 32 2 45 27 44 1 46 28 32 1 47 28 45 1 48 29 46 1 49 29 47 1 50 29 48 1 51 30 49 1 52 30 50 1 53 30 51 1 54 31 52 1 55 31 53 1 56 31 54 1 57 32 33 1 58 33 55 1 59 33 56 1 60 33 57 1 @SUBSTRUCTURE 1 noname 1