@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448123 38 40 1 SMALL USER_CHARGES @ATOM 1 F1 4.9840 -7.4387 -5.5097 F 1 noname -0.1659 2 C1 6.1430 -8.0027 -5.0266 C.3 1 noname 0.4206 3 F2 7.1280 -7.0516 -5.1456 F 1 noname -0.1659 4 F3 6.4490 -9.0536 -5.8566 F 1 noname -0.1659 5 C2 6.0480 -8.4706 -3.6215 C.2 1 noname 0.0103 6 C3 7.1420 -9.0756 -2.9675 C.2 1 noname 0.0697 7 C4 4.8689 -8.3396 -2.8594 C.2 1 noname 0.0404 8 N1 7.0219 -9.4936 -1.6843 N.2 1 noname -0.2304 9 N2 8.3210 -9.2516 -3.6074 N.3 1 noname -0.0991 10 N3 4.8128 -8.7806 -1.5813 N.2 1 noname -0.2541 11 C5 5.8738 -9.3616 -0.9793 C.2 1 noname 0.0859 12 C6 9.4480 -9.8616 -2.9974 C.3 1 noname -0.0101 13 N4 5.7468 -9.7746 0.3017 N.3 1 noname 0.0479 14 C7 6.7238 -10.3745 1.0198 C.2 1 noname 0.0349 15 C8 7.4337 -11.5396 0.7518 C.2 1 noname -0.0807 16 C9 7.2027 -9.9515 2.2499 C.2 1 noname 0.0475 17 N5 8.2627 -11.7505 1.7869 N.3 1 noname -0.0338 18 C10 7.3307 -12.4635 -0.3900 C.3 1 noname 0.0960 19 N6 8.1427 -10.8125 2.6740 N.2 1 noname -0.2885 20 C11 9.1437 -12.8605 1.8980 C.3 1 noname -0.0173 21 O1 8.4147 -13.4005 -0.3520 O.3 1 noname -0.3705 22 C12 5.9866 -13.2095 -0.3880 C.3 1 noname -0.0330 23 C13 8.7667 -13.9795 0.9070 C.3 1 noname 0.0653 24 H1 4.0388 -7.9096 -3.2654 H 1 noname 0.0848 25 H2 8.4029 -8.9506 -4.5265 H 1 noname 0.1293 26 H3 9.2069 -10.8826 -2.6993 H 1 noname 0.0396 27 H4 9.7539 -9.2905 -2.1193 H 1 noname 0.0396 28 H5 10.2710 -9.8836 -3.7114 H 1 noname 0.0396 29 H6 4.9087 -9.5845 0.7498 H 1 noname 0.1374 30 H7 6.8927 -9.1194 2.7540 H 1 noname 0.0874 31 H8 7.4167 -11.9075 -1.3220 H 1 noname 0.0666 32 H9 10.1607 -12.5235 1.6960 H 1 noname 0.0514 33 H10 9.0977 -13.2625 2.9111 H 1 noname 0.0514 34 H11 5.9685 -13.9155 -1.2190 H 1 noname 0.0261 35 H12 5.8565 -13.7565 0.5460 H 1 noname 0.0261 36 H13 5.1665 -12.5014 -0.5099 H 1 noname 0.0261 37 H14 7.9196 -14.5435 1.2990 H 1 noname 0.0584 38 H15 9.6136 -14.6535 0.7770 H 1 noname 0.0584 @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 24 1 11 8 11 2 12 9 12 1 13 9 25 1 14 10 11 1 15 11 13 1 16 12 26 1 17 12 27 1 18 12 28 1 19 13 14 1 20 13 29 1 21 14 15 2 22 14 16 1 23 15 17 1 24 15 18 1 25 16 19 2 26 16 30 1 27 17 20 1 28 17 19 1 29 18 21 1 30 18 22 1 31 18 31 1 32 20 23 1 33 20 32 1 34 20 33 1 35 21 23 1 36 22 34 1 37 22 35 1 38 22 36 1 39 23 37 1 40 23 38 1 @SUBSTRUCTURE 1 noname 1