@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442778 39 42 1 SMALL USER_CHARGES @ATOM 1 F1 7.6796 -29.9021 -1.8289 F 1 noname -0.1660 2 C1 6.5676 -30.0150 -1.0228 C.3 1 noname 0.4176 3 F2 6.7156 -31.1819 -0.3128 F 1 noname -0.1660 4 F3 5.5546 -30.1369 -1.9427 F 1 noname -0.1660 5 C2 6.4236 -28.8430 -0.1018 C.2 1 noname -0.0058 6 C3 5.2116 -28.1150 0.1401 C.2 1 noname 0.0163 7 C4 7.6345 -28.3530 0.4451 C.2 1 noname -0.0260 8 N1 3.9066 -28.6019 -0.0567 N.3 1 noname 0.0162 9 C5 5.3405 -26.7780 0.6271 C.2 1 noname -0.0307 10 C6 7.7095 -27.0960 1.0531 C.2 1 noname -0.0697 11 C7 2.8316 -27.7269 -0.1597 C.2 1 noname 0.0249 12 C8 3.5816 -30.0148 -0.0177 C.3 1 noname 0.0347 13 C9 4.2266 -25.9140 0.6422 C.2 1 noname 0.0119 14 C10 6.5725 -26.2860 1.0962 C.2 1 noname -0.0462 15 N2 1.6416 -28.1569 -0.5396 N.2 1 noname -0.1443 16 C11 2.9826 -26.3589 0.1902 C.2 1 noname 0.0614 17 C12 2.7006 -30.3888 1.1142 C.2 1 noname -0.0484 18 C13 0.5676 -27.3838 -0.6276 C.2 1 noname 0.1139 19 C14 1.8355 -25.5349 0.1043 C.2 1 noname 0.0813 20 C15 1.4475 -30.9957 0.8883 C.2 1 noname -0.0529 21 C16 3.1145 -30.1437 2.4402 C.2 1 noname -0.0529 22 O1 -0.5243 -27.8638 -0.9975 O.2 1 noname -0.2481 23 N3 0.6585 -26.0689 -0.3075 N.3 1 noname 0.1044 24 O2 1.8705 -24.3200 0.4013 O.2 1 noname -0.2832 25 C17 0.6185 -31.3426 1.9683 C.2 1 noname -0.0594 26 C18 2.2865 -30.4907 3.5212 C.2 1 noname -0.0594 27 C19 1.0375 -31.0886 3.2853 C.2 1 noname -0.0613 28 H1 8.4945 -28.8929 0.3421 H 1 noname 0.0629 29 H2 8.6004 -26.7500 1.4102 H 1 noname 0.0623 30 H3 4.4575 -30.6317 0.1302 H 1 noname 0.0489 31 H4 3.1275 -30.3028 -0.9696 H 1 noname 0.0489 32 H5 4.3295 -24.9460 0.9582 H 1 noname 0.0638 33 H6 6.6484 -25.3410 1.4782 H 1 noname 0.0629 34 H7 1.1335 -31.1787 -0.0656 H 1 noname 0.0626 35 H8 4.0204 -29.7077 2.6182 H 1 noname 0.0626 36 H9 -0.1284 -25.5058 -0.3685 H 1 noname 0.1424 37 H10 -0.2884 -31.7766 1.7963 H 1 noname 0.0622 38 H11 2.5924 -30.3067 4.4772 H 1 noname 0.0622 39 H12 0.4355 -31.3396 4.0703 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 28 1 11 8 11 1 12 8 12 1 13 9 13 1 14 9 14 2 15 10 14 1 16 10 29 1 17 11 15 2 18 11 16 1 19 12 17 1 20 12 30 1 21 12 31 1 22 13 16 2 23 13 32 1 24 14 33 1 25 15 18 1 26 16 19 1 27 17 20 2 28 17 21 1 29 18 22 2 30 18 23 1 31 19 24 2 32 19 23 1 33 20 25 1 34 20 34 1 35 21 26 2 36 21 35 1 37 23 36 1 38 25 27 2 39 25 37 1 40 26 27 1 41 26 38 1 42 27 39 1 @SUBSTRUCTURE 1 noname 1