@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446994 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 -2.7707 -11.2027 1.2981 F 1 noname -0.1490 2 C1 -1.4818 -11.3897 1.3161 C.2 1 noname 0.0914 3 C2 -0.8659 -12.1296 2.3361 C.2 1 noname 0.0702 4 C3 -0.6539 -10.8596 0.3162 C.2 1 noname 0.0702 5 N1 0.4769 -12.3085 2.3302 N.2 1 noname -0.1930 6 N2 0.6849 -11.0696 0.3612 N.2 1 noname -0.1930 7 C4 1.2629 -11.7885 1.3562 C.2 1 noname 0.0640 8 C5 2.7188 -12.0035 1.3803 C.3 1 noname 0.0715 9 N3 3.1107 -12.6565 0.1774 N.3 1 noname -0.0650 10 C6 3.4547 -10.6595 1.5443 C.3 1 noname -0.0420 11 C7 4.3166 -13.2264 -0.0095 C.2 1 noname 0.0722 12 N4 5.2585 -13.2403 0.9625 N.2 1 noname -0.2472 13 N5 4.5945 -13.8103 -1.1943 N.2 1 noname -0.2577 14 C8 6.4785 -13.8113 0.8085 C.2 1 noname 0.0359 15 C9 5.7894 -14.4003 -1.4303 C.2 1 noname 0.0436 16 N6 7.3943 -13.8022 1.8155 N.3 1 noname 0.0367 17 C10 6.7894 -14.4232 -0.4263 C.2 1 noname -0.0481 18 C11 6.0314 -14.9912 -2.6812 C.2 1 noname 0.0053 19 C12 7.2723 -13.2712 3.0585 C.2 1 noname 0.0348 20 C13 8.0273 -15.0461 -0.7012 C.2 1 noname 0.0098 21 C14 7.2673 -15.6071 -2.9411 C.2 1 noname 0.0047 22 N7 8.2842 -13.2962 3.9385 N.2 1 noname -0.2137 23 C15 6.1943 -12.6421 3.6785 C.2 1 noname -0.1115 24 C16 8.2712 -15.6400 -1.9581 C.2 1 noname 0.0122 25 C17 7.8502 -12.7001 5.0614 C.2 1 noname -0.0438 26 N8 6.5782 -12.2981 4.9145 N.3 1 noname -0.0744 27 O1 9.4432 -16.2580 -2.2901 O.3 1 noname -0.2765 28 C18 5.7942 -11.6321 5.8925 C.3 1 noname -0.0673 29 C19 10.5470 -16.3569 -1.3861 C.3 1 noname 0.0423 30 H1 -1.4269 -12.5345 3.0871 H 1 noname 0.0872 31 H2 -1.0549 -10.3146 -0.4466 H 1 noname 0.0872 32 H3 2.9587 -12.6405 2.2353 H 1 noname 0.0550 33 H4 2.4667 -12.7104 -0.5454 H 1 noname 0.1320 34 H5 3.2456 -10.0105 0.6924 H 1 noname 0.0251 35 H6 4.5296 -10.8265 1.6054 H 1 noname 0.0251 36 H7 3.1267 -10.1655 2.4603 H 1 noname 0.0251 37 H8 8.2453 -14.2241 1.6275 H 1 noname 0.1373 38 H9 5.3114 -14.9741 -3.4041 H 1 noname 0.0646 39 H10 8.7552 -15.0701 0.0117 H 1 noname 0.0658 40 H11 7.4352 -16.0341 -3.8521 H 1 noname 0.0650 41 H12 5.2733 -12.4721 3.2776 H 1 noname 0.0825 42 H13 8.4091 -12.5741 5.9065 H 1 noname 0.1015 43 H14 6.2752 -10.6931 6.1705 H 1 noname 0.0436 44 H15 5.7012 -12.2620 6.7785 H 1 noname 0.0436 45 H16 4.7952 -11.4150 5.5096 H 1 noname 0.0436 46 H17 11.3590 -16.8899 -1.8800 H 1 noname 0.0535 47 H18 10.8970 -15.3619 -1.1061 H 1 noname 0.0535 48 H19 10.2560 -16.9089 -0.4911 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 30 1 6 4 6 2 7 4 31 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 32 1 14 9 11 1 15 9 33 1 16 10 34 1 17 10 35 1 18 10 36 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 37 1 29 17 20 2 30 18 21 1 31 18 38 1 32 19 22 1 33 19 23 2 34 20 24 1 35 20 39 1 36 21 24 2 37 21 40 1 38 22 25 2 39 23 26 1 40 23 41 1 41 24 27 1 42 25 26 1 43 25 42 1 44 26 28 1 45 27 29 1 46 28 43 1 47 28 44 1 48 28 45 1 49 29 46 1 50 29 47 1 51 29 48 1 @SUBSTRUCTURE 1 noname 1