@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3482 72 76 1 SMALL USER_CHARGES @ATOM 1 Cl1 16.5728 -5.6226 2.0502 Cl 1 noname -0.0774 2 C1 17.1148 -5.6196 0.4391 C.2 1 noname 0.0115 3 C2 16.3917 -6.2176 -0.6307 C.2 1 noname 0.0254 4 C3 18.3438 -4.9795 0.1862 C.2 1 noname -0.0217 5 C4 16.9327 -6.1615 -1.9447 C.2 1 noname 0.0115 6 C5 15.1486 -6.8616 -0.3907 C.2 1 noname 0.0289 7 C6 18.8638 -4.9255 -1.1137 C.2 1 noname -0.0405 8 Cl2 16.1717 -6.8565 -3.2977 Cl 1 noname -0.0774 9 C7 18.1617 -5.5144 -2.1737 C.2 1 noname -0.0217 10 C8 15.0716 -8.2026 0.0603 C.2 1 noname 0.0663 11 C9 13.9505 -6.1505 -0.6137 C.2 1 noname 0.0052 12 N1 13.8455 -8.7535 0.2663 N.2 1 noname -0.1811 13 N2 16.2106 -8.9175 0.2673 N.3 1 noname -0.0943 14 C10 12.7064 -6.7665 -0.3936 C.2 1 noname 0.0053 15 C11 12.6794 -8.1004 0.0594 C.2 1 noname 0.0613 16 C12 16.3216 -10.2036 0.6824 C.2 1 noname 0.1262 17 C13 11.4693 -6.1354 -0.5966 C.2 1 noname 0.0304 18 N3 11.5013 -8.7244 0.2874 N.2 1 noname -0.1929 19 O1 17.4916 -10.6375 0.7624 O.2 1 noname -0.2531 20 N4 15.2435 -10.9856 0.9694 N.3 1 noname -0.1255 21 N5 10.3212 -6.8114 -0.3515 N.2 1 noname -0.2262 22 C14 10.3202 -8.0934 0.0854 C.2 1 noname 0.0981 23 C15 15.2254 -12.2886 1.3585 C.2 1 noname -0.0187 24 N6 9.1361 -8.6883 0.3285 N.3 1 noname -0.0681 25 C16 16.2664 -12.9366 2.0556 C.2 1 noname -0.0247 26 C17 14.0493 -13.0096 1.0795 C.2 1 noname -0.0247 27 C18 8.9840 -10.0124 0.8256 C.3 1 noname 0.0041 28 C19 16.1343 -14.2805 2.4476 C.2 1 noname -0.0194 29 C20 13.9183 -14.3526 1.4706 C.2 1 noname -0.0194 30 C21 8.3859 -9.9643 2.2417 C.3 1 noname -0.0273 31 C22 14.9602 -15.0115 2.1607 C.2 1 noname -0.0092 32 C23 9.3849 -9.3623 3.2448 C.3 1 noname -0.0005 33 C24 14.8542 -16.4295 2.5977 C.3 1 noname 0.4161 34 N7 10.5939 -10.2063 3.3539 N.3 1 noname -0.3006 35 F1 13.6651 -17.0335 2.2578 F 1 noname -0.1661 36 F2 15.8592 -17.1745 2.0307 F 1 noname -0.1661 37 F3 14.9681 -16.5105 3.9649 F 1 noname -0.1661 38 C25 10.3569 -11.3433 4.2680 C.3 1 noname 0.0111 39 C26 11.7369 -9.4042 3.8330 C.3 1 noname 0.0111 40 C27 11.6189 -12.2093 4.3810 C.3 1 noname 0.0108 41 C28 12.9919 -10.2812 3.9531 C.3 1 noname 0.0108 42 N8 12.7350 -11.3902 4.8901 N.3 1 noname -0.3037 43 C29 13.9409 -12.2221 5.0401 C.3 1 noname -0.0132 44 H1 18.8708 -4.5444 0.9463 H 1 noname 0.0638 45 H2 19.7548 -4.4604 -1.2877 H 1 noname 0.0623 46 H3 18.5577 -5.4674 -3.1147 H 1 noname 0.0638 47 H4 13.9825 -5.1824 -0.9406 H 1 noname 0.0638 48 H5 17.0466 -8.4595 0.0913 H 1 noname 0.1400 49 H6 11.4243 -5.1703 -0.9255 H 1 noname 0.0848 50 H7 14.3754 -10.5775 0.8445 H 1 noname 0.1385 51 H8 8.3340 -8.1633 0.1836 H 1 noname 0.1312 52 H9 17.1204 -12.4345 2.2956 H 1 noname 0.0639 53 H10 13.2783 -12.5555 0.5885 H 1 noname 0.0639 54 H11 9.9320 -10.5534 0.8556 H 1 noname 0.0433 55 H12 8.3009 -10.5523 0.1696 H 1 noname 0.0433 56 H13 16.8993 -14.7285 2.9527 H 1 noname 0.0629 57 H14 13.0522 -14.8466 1.2516 H 1 noname 0.0629 58 H15 8.1179 -10.9733 2.5528 H 1 noname 0.0293 59 H16 7.4818 -9.3563 2.2298 H 1 noname 0.0293 60 H17 8.9028 -9.2582 4.2189 H 1 noname 0.0431 61 H18 9.6559 -8.3651 2.8939 H 1 noname 0.0431 62 H19 9.5478 -11.9663 3.8880 H 1 noname 0.0443 63 H20 10.0859 -10.9802 5.2621 H 1 noname 0.0443 64 H21 11.5099 -8.9651 4.8061 H 1 noname 0.0443 65 H22 11.9419 -8.6051 3.1190 H 1 noname 0.0443 66 H23 11.4209 -13.0303 5.0701 H 1 noname 0.0443 67 H24 11.8639 -12.6182 3.3990 H 1 noname 0.0443 68 H25 13.8149 -9.6672 4.3221 H 1 noname 0.0443 69 H26 13.2529 -10.6692 2.9670 H 1 noname 0.0443 70 H27 14.7649 -11.6131 5.4132 H 1 noname 0.0394 71 H28 13.7479 -13.0252 5.7512 H 1 noname 0.0394 72 H29 14.2229 -12.6561 4.0822 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 44 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 11 2 12 7 9 1 13 7 45 1 14 9 46 1 15 10 12 2 16 10 13 1 17 11 14 1 18 11 47 1 19 12 15 1 20 13 16 1 21 13 48 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 49 1 29 18 22 1 30 20 23 1 31 20 50 1 32 21 22 2 33 22 24 1 34 23 25 2 35 23 26 1 36 24 27 1 37 24 51 1 38 25 28 1 39 25 52 1 40 26 29 2 41 26 53 1 42 27 30 1 43 27 54 1 44 27 55 1 45 28 31 2 46 28 56 1 47 29 31 1 48 29 57 1 49 30 32 1 50 30 58 1 51 30 59 1 52 31 33 1 53 32 34 1 54 32 60 1 55 32 61 1 56 33 35 1 57 33 36 1 58 33 37 1 59 34 38 1 60 34 39 1 61 38 40 1 62 38 62 1 63 38 63 1 64 39 41 1 65 39 64 1 66 39 65 1 67 40 42 1 68 40 66 1 69 40 67 1 70 41 42 1 71 41 68 1 72 41 69 1 73 42 43 1 74 43 70 1 75 43 71 1 76 43 72 1 @SUBSTRUCTURE 1 noname 1