@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442267 63 66 1 SMALL USER_CHARGES @ATOM 1 Cl1 10.1304 -32.6432 -6.1065 Cl 1 noname -0.0607 2 C1 11.1284 -32.8071 -7.4775 C.2 1 noname 0.0542 3 C2 10.9484 -31.8731 -8.5254 C.2 1 noname 0.0560 4 C3 12.0943 -33.8500 -7.6014 C.2 1 noname 0.0302 5 F1 10.0833 -30.8921 -8.4593 F 1 noname -0.1575 6 C4 11.7043 -31.9761 -9.7004 C.2 1 noname 0.0108 7 C5 12.8362 -33.9420 -8.8143 C.2 1 noname 0.0006 8 C6 12.3252 -34.8270 -6.4884 C.3 1 noname 0.0348 9 C7 12.6372 -33.0060 -9.8463 C.2 1 noname -0.0095 10 Cl2 13.9952 -35.1390 -9.1403 Cl 1 noname -0.0816 11 S1 14.0752 -35.0219 -6.0773 S.3 1 noname -0.1008 12 C8 11.7112 -36.2049 -6.7933 C.3 1 noname -0.0487 13 C9 14.7401 -33.4808 -5.6273 C.2 1 noname -0.0049 14 C10 16.1010 -33.2308 -5.8442 C.2 1 noname 0.0423 15 C11 13.9620 -32.4658 -5.0432 C.2 1 noname -0.0121 16 N1 16.6199 -32.0297 -5.5101 N.2 1 noname -0.2602 17 N2 16.8969 -34.1617 -6.3861 N.3 1 noname -0.1131 18 C12 14.5000 -31.2038 -4.6791 C.2 1 noname -0.0369 19 C13 15.8809 -31.0387 -4.9571 C.2 1 noname 0.0047 20 C14 13.7080 -30.1677 -4.0561 C.2 1 noname -0.0230 21 C15 14.2429 -28.8887 -3.7610 C.2 1 noname -0.0317 22 C16 12.3500 -30.3656 -3.6980 C.2 1 noname -0.0317 23 C17 13.4878 -27.8897 -3.1250 C.2 1 noname -0.0129 24 C18 11.5929 -29.3686 -3.0610 C.2 1 noname -0.0129 25 C19 12.1538 -28.1166 -2.7259 C.2 1 noname -0.0100 26 C20 11.3598 -27.1216 -2.0779 C.2 1 noname 0.0153 27 O1 10.1167 -27.2845 -2.1039 O.2 1 noname -0.2949 28 N3 11.8077 -25.9845 -1.4379 N.3 1 noname -0.0662 29 C21 13.1116 -25.8235 -0.8648 C.3 1 noname 0.0189 30 C22 10.9316 -24.8685 -1.2329 C.3 1 noname 0.0189 31 C23 13.0095 -25.4294 0.6191 C.3 1 noname 0.0117 32 C24 10.8136 -24.5374 0.2601 C.3 1 noname 0.0117 33 N4 12.1525 -24.2424 0.8071 N.3 1 noname -0.2984 34 C25 12.0824 -23.9124 2.2462 C.3 1 noname 0.0216 35 C26 11.4374 -22.5404 2.4882 C.3 1 noname 0.0559 36 O2 11.5853 -22.1843 3.8562 O.3 1 noname -0.3949 37 H1 11.5722 -31.3040 -10.4583 H 1 noname 0.0654 38 H2 11.8562 -34.5009 -5.5633 H 1 noname 0.0468 39 H3 13.1711 -33.0640 -10.7163 H 1 noname 0.0639 40 H4 11.8501 -36.8549 -5.9293 H 1 noname 0.0245 41 H5 10.6431 -36.0998 -6.9863 H 1 noname 0.0245 42 H6 12.1871 -36.6669 -7.6573 H 1 noname 0.0245 43 H7 12.9800 -32.6728 -4.8831 H 1 noname 0.0642 44 H8 17.8358 -33.9667 -6.5311 H 1 noname 0.1258 45 H9 16.5359 -35.0266 -6.6331 H 1 noname 0.1258 46 H10 16.3668 -30.1716 -4.7361 H 1 noname 0.0846 47 H11 15.1988 -28.6456 -4.0139 H 1 noname 0.0629 48 H12 11.8819 -31.2506 -3.8820 H 1 noname 0.0629 49 H13 13.9228 -26.9796 -2.9850 H 1 noname 0.0630 50 H14 10.6219 -29.5755 -2.8230 H 1 noname 0.0630 51 H15 13.6935 -26.7434 -0.8808 H 1 noname 0.0449 52 H16 13.6525 -25.0454 -1.4058 H 1 noname 0.0449 53 H17 11.3526 -24.0015 -1.7438 H 1 noname 0.0449 54 H18 9.9286 -25.0344 -1.6308 H 1 noname 0.0449 55 H19 14.0135 -25.2124 0.9871 H 1 noname 0.0444 56 H20 12.6045 -26.2734 1.1811 H 1 noname 0.0444 57 H21 10.3616 -25.3814 0.7851 H 1 noname 0.0444 58 H22 10.1666 -23.6664 0.3621 H 1 noname 0.0444 59 H23 13.0934 -23.8753 2.6532 H 1 noname 0.0454 60 H24 11.5194 -24.6773 2.7842 H 1 noname 0.0454 61 H25 11.9274 -21.7913 1.8672 H 1 noname 0.0576 62 H26 10.3754 -22.5763 2.2473 H 1 noname 0.0576 63 H27 11.2083 -21.3093 4.0883 H 1 noname 0.2100 @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 8 1 8 6 9 2 9 6 37 1 10 7 10 1 11 7 9 1 12 8 11 1 13 8 12 1 14 8 38 1 15 9 39 1 16 11 13 1 17 12 40 1 18 12 41 1 19 12 42 1 20 13 14 2 21 13 15 1 22 14 16 1 23 14 17 1 24 15 18 2 25 15 43 1 26 16 19 2 27 17 44 1 28 17 45 1 29 18 20 1 30 18 19 1 31 19 46 1 32 20 21 2 33 20 22 1 34 21 23 1 35 21 47 1 36 22 24 2 37 22 48 1 38 23 25 2 39 23 49 1 40 24 25 1 41 24 50 1 42 25 26 1 43 26 27 2 44 26 28 1 45 28 29 1 46 28 30 1 47 29 31 1 48 29 51 1 49 29 52 1 50 30 32 1 51 30 53 1 52 30 54 1 53 31 33 1 54 31 55 1 55 31 56 1 56 32 33 1 57 32 57 1 58 32 58 1 59 33 34 1 60 34 35 1 61 34 59 1 62 34 60 1 63 35 36 1 64 35 61 1 65 35 62 1 66 36 63 1 @SUBSTRUCTURE 1 noname 1