@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440164 37 39 1 SMALL USER_CHARGES @ATOM 1 S1 15.8944 -15.5313 -0.3593 S.3 1 noname -0.1932 2 C1 14.2504 -15.5532 0.1946 C.2 1 noname 0.0698 3 C2 15.8943 -13.8273 -0.0613 C.2 1 noname 0.0497 4 N1 13.7784 -14.3502 0.5687 N.2 1 noname -0.2146 5 C3 13.4814 -16.7341 0.2417 C.2 1 noname 0.0088 6 C4 14.6773 -13.3682 0.4317 C.2 1 noname 0.0325 7 C5 17.0722 -12.9892 -0.2992 C.3 1 noname 0.0343 8 C6 12.1434 -16.7161 0.6967 C.2 1 noname 0.0221 9 C7 14.0413 -17.9630 -0.1702 C.2 1 noname 0.0221 10 C8 14.3853 -11.9752 0.7827 C.3 1 noname 0.0447 11 C9 11.3834 -17.8980 0.7377 C.2 1 noname 0.0497 12 C10 13.2823 -19.1469 -0.1291 C.2 1 noname 0.0497 13 S2 14.4392 -10.9402 -0.6931 S.3 1 noname -0.0320 14 F1 10.1504 -17.8669 1.1588 F 1 noname -0.1624 15 C11 11.9523 -19.1139 0.3238 C.2 1 noname 0.0553 16 F2 13.8112 -20.2728 -0.5131 F 1 noname -0.1624 17 C12 14.0832 -9.3511 -0.1010 C.2 1 noname 0.0777 18 N2 14.0231 -8.3111 -0.9659 N.2 1 noname -0.2615 19 N3 13.8651 -9.1271 1.2179 N.2 1 noname -0.2615 20 C13 13.7500 -7.0541 -0.5459 C.2 1 noname 0.0379 21 C14 13.5881 -7.8901 1.6909 C.2 1 noname 0.0379 22 N4 13.7030 -6.0621 -1.4438 N.3 1 noname -0.1151 23 C15 13.5210 -6.7990 0.8130 C.2 1 noname -0.0235 24 N5 13.3800 -7.7250 3.0029 N.3 1 noname -0.1151 25 H1 17.8942 -13.6112 -0.6522 H 1 noname 0.0288 26 H2 16.8452 -12.2362 -1.0532 H 1 noname 0.0288 27 H3 17.3692 -12.4972 0.6277 H 1 noname 0.0288 28 H4 11.7154 -15.8391 0.9998 H 1 noname 0.0660 29 H5 15.0062 -18.0070 -0.5031 H 1 noname 0.0660 30 H6 15.1162 -11.6182 1.5088 H 1 noname 0.0451 31 H7 13.3893 -11.9111 1.2208 H 1 noname 0.0451 32 H8 11.4013 -19.9728 0.3529 H 1 noname 0.0684 33 H9 13.5100 -5.1551 -1.1608 H 1 noname 0.1257 34 H10 13.8639 -6.2550 -2.3808 H 1 noname 0.1257 35 H11 13.3139 -5.8580 1.1500 H 1 noname 0.0689 36 H12 13.4310 -8.4900 3.5970 H 1 noname 0.1257 37 H13 13.1780 -6.8460 3.3590 H 1 noname 0.1257 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 25 1 12 7 26 1 13 7 27 1 14 8 11 1 15 8 28 1 16 9 12 2 17 9 29 1 18 10 13 1 19 10 30 1 20 10 31 1 21 11 14 1 22 11 15 2 23 12 16 1 24 12 15 1 25 13 17 1 26 15 32 1 27 17 18 2 28 17 19 1 29 18 20 1 30 19 21 2 31 20 22 1 32 20 23 2 33 21 24 1 34 21 23 1 35 22 33 1 36 22 34 1 37 23 35 1 38 24 36 1 39 24 37 1 @SUBSTRUCTURE 1 noname 1