@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446261 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 6.8390 -23.2478 9.8795 F 1 noname -0.1517 2 C1 7.9929 -23.8307 9.6896 C.2 1 noname 0.0774 3 C2 8.3138 -24.3216 8.4027 C.2 1 noname 0.0369 4 C3 8.8958 -23.9807 10.7725 C.2 1 noname 0.0456 5 N1 7.4798 -24.2106 7.3387 N.3 1 noname -0.1119 6 C4 9.5307 -24.9956 8.2027 C.2 1 noname -0.0185 7 C5 10.1197 -24.6496 10.5326 C.2 1 noname -0.0126 8 C6 8.5557 -23.4526 12.1235 C.3 1 noname 0.4189 9 C7 7.0518 -23.0386 6.7968 C.2 1 noname 0.1217 10 C8 10.4336 -25.1555 9.2627 C.2 1 noname -0.0489 11 F2 9.5266 -23.6666 13.0755 F 1 noname -0.1660 12 F3 8.3587 -22.0937 12.0706 F 1 noname -0.1660 13 F4 7.4117 -24.0486 12.5965 F 1 noname -0.1660 14 O1 7.3817 -21.9357 7.2868 O.2 1 noname -0.2542 15 N2 6.2508 -22.9936 5.7059 N.3 1 noname -0.1252 16 C9 5.7968 -24.0565 4.9960 C.2 1 noname -0.0123 17 C10 4.4358 -24.0905 4.6410 C.2 1 noname -0.0280 18 C11 6.6437 -25.0954 4.5580 C.2 1 noname -0.0280 19 C12 3.9238 -25.1554 3.8801 C.2 1 noname -0.0307 20 C13 6.1316 -26.1613 3.8001 C.2 1 noname -0.0307 21 C14 4.7667 -26.1993 3.4401 C.2 1 noname -0.0365 22 C15 4.2567 -27.2842 2.6892 C.2 1 noname 0.0463 23 C16 3.3896 -27.2901 1.5953 C.2 1 noname 0.0450 24 C17 4.5286 -28.6321 2.9383 C.2 1 noname 0.0486 25 C18 2.7796 -26.3011 0.8024 C.2 1 noname 0.0642 26 C19 3.1586 -28.6201 1.2583 C.2 1 noname 0.1306 27 O2 3.8566 -29.4350 2.0783 O.3 1 noname -0.3401 28 N3 1.9706 -26.6951 -0.2134 N.2 1 noname -0.2297 29 N4 2.9776 -24.9882 0.9734 N.3 1 noname -0.1102 30 N5 2.3476 -28.9690 0.2345 N.2 1 noname -0.2015 31 C20 1.7426 -28.0030 -0.4994 C.2 1 noname 0.0648 32 H1 7.2118 -25.0305 6.8978 H 1 noname 0.1386 33 H2 9.7656 -25.3665 7.2808 H 1 noname 0.0640 34 H3 10.7926 -24.7766 11.2886 H 1 noname 0.0629 35 H4 11.3185 -25.6405 9.1097 H 1 noname 0.0623 36 H5 5.9467 -22.1146 5.4289 H 1 noname 0.1385 37 H6 3.8098 -23.3434 4.9440 H 1 noname 0.0639 38 H7 7.6386 -25.0774 4.7860 H 1 noname 0.0639 39 H8 2.9278 -25.1674 3.6561 H 1 noname 0.0629 40 H9 6.7666 -26.9033 3.5012 H 1 noname 0.0629 41 H10 5.1355 -28.9750 3.6842 H 1 noname 0.0908 42 H11 2.5316 -24.3572 0.3875 H 1 noname 0.1258 43 H12 3.5765 -24.6672 1.6624 H 1 noname 0.1258 44 H13 1.1276 -28.2579 -1.2723 H 1 noname 0.1063 @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 5 9 1 9 5 32 1 10 6 10 2 11 6 33 1 12 7 10 1 13 7 34 1 14 8 11 1 15 8 12 1 16 8 13 1 17 9 14 2 18 9 15 1 19 10 35 1 20 15 16 1 21 15 36 1 22 16 17 2 23 16 18 1 24 17 19 1 25 17 37 1 26 18 20 2 27 18 38 1 28 19 21 2 29 19 39 1 30 20 21 1 31 20 40 1 32 21 22 1 33 22 23 1 34 22 24 2 35 23 25 2 36 23 26 1 37 24 27 1 38 24 41 1 39 25 28 1 40 25 29 1 41 26 30 2 42 26 27 1 43 28 31 2 44 29 42 1 45 29 43 1 46 30 31 1 47 31 44 1 @SUBSTRUCTURE 1 noname 1