@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446992 41 44 1 SMALL USER_CHARGES @ATOM 1 F1 4.2946 -23.5225 -7.5673 F 1 noname -0.1490 2 C1 4.7726 -23.5665 -6.3553 C.2 1 noname 0.0914 3 C2 5.7886 -22.6944 -5.9402 C.2 1 noname 0.0702 4 C3 4.2895 -24.4865 -5.4142 C.2 1 noname 0.0702 5 N1 6.2656 -22.7614 -4.6731 N.2 1 noname -0.1930 6 N2 4.8035 -24.5094 -4.1611 N.2 1 noname -0.1930 7 C4 5.7875 -23.6583 -3.7761 C.2 1 noname 0.0640 8 C5 6.3255 -23.7043 -2.4060 C.3 1 noname 0.0715 9 N3 5.2614 -23.4592 -1.4899 N.3 1 noname -0.0616 10 C6 6.9904 -25.0713 -2.1429 C.3 1 noname -0.0420 11 C7 5.4423 -23.2252 -0.1748 C.2 1 noname 0.0876 12 N4 6.6863 -23.1981 0.3751 N.2 1 noname -0.2415 13 N5 4.3563 -23.0091 0.6101 N.2 1 noname -0.2195 14 C8 6.9183 -22.9691 1.6962 C.2 1 noname 0.0582 15 C9 4.5313 -22.7751 1.9302 C.2 1 noname 0.1128 16 N6 8.1603 -22.9510 2.2373 N.3 1 noname 0.0406 17 C10 5.7932 -22.7500 2.5003 C.2 1 noname 0.0107 18 N7 3.6242 -22.5420 2.8923 N.2 1 noname -0.2693 19 C11 9.3152 -23.1530 1.5593 C.2 1 noname 0.0348 20 C12 5.5972 -22.4920 3.8454 C.2 1 noname -0.0414 21 N8 4.2682 -22.3780 4.0114 N.3 1 noname -0.0093 22 N9 9.4742 -23.3709 0.2424 N.2 1 noname -0.2137 23 C13 10.5722 -23.1669 2.1474 C.2 1 noname -0.1113 24 C14 10.7922 -23.5159 0.0274 C.2 1 noname -0.0438 25 N10 11.4702 -23.3949 1.1804 N.3 1 noname -0.0742 26 C15 12.8792 -23.4938 1.3334 C.3 1 noname -0.0673 27 H1 6.1725 -22.0063 -6.5892 H 1 noname 0.0872 28 H2 3.5495 -25.1414 -5.6692 H 1 noname 0.0872 29 H3 7.0804 -22.9222 -2.3029 H 1 noname 0.0550 30 H4 4.3553 -23.4412 -1.8339 H 1 noname 0.1320 31 H5 6.2454 -25.8663 -2.1879 H 1 noname 0.0251 32 H6 7.4564 -25.0762 -1.1579 H 1 noname 0.0251 33 H7 7.7614 -25.2583 -2.8919 H 1 noname 0.0251 34 H8 8.2292 -22.7839 3.1893 H 1 noname 0.1373 35 H9 6.3141 -22.4059 4.5664 H 1 noname 0.0814 36 H10 3.8391 -22.1959 4.8624 H 1 noname 0.1748 37 H11 10.7742 -23.0309 3.1384 H 1 noname 0.0825 38 H12 11.2152 -23.6949 -0.8835 H 1 noname 0.1015 39 H13 13.3672 -22.7258 0.7324 H 1 noname 0.0436 40 H14 13.2151 -24.4768 0.9975 H 1 noname 0.0436 41 H15 13.1672 -23.3618 2.3775 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 27 1 6 4 6 2 7 4 28 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 29 1 14 9 11 1 15 9 30 1 16 10 31 1 17 10 32 1 18 10 33 1 19 11 12 1 20 11 13 2 21 12 14 2 22 13 15 1 23 14 16 1 24 14 17 1 25 15 18 2 26 15 17 1 27 16 19 1 28 16 34 1 29 17 20 2 30 18 21 1 31 19 22 1 32 19 23 2 33 20 21 1 34 20 35 1 35 21 36 1 36 22 24 2 37 23 25 1 38 23 37 1 39 24 25 1 40 24 38 1 41 25 26 1 42 26 39 1 43 26 40 1 44 26 41 1 @SUBSTRUCTURE 1 noname 1