@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3265 28 30 1 SMALL USER_CHARGES @ATOM 1 I1 -3.3872 9.0204 6.3352 I 1 noname -0.0442 2 C1 -2.2533 7.8904 5.0533 C.2 1 noname -0.0270 3 C2 -2.8623 6.8975 4.2664 C.2 1 noname -0.0339 4 C3 -0.8674 8.1055 4.9623 C.2 1 noname -0.0585 5 C4 -2.0944 6.1225 3.3714 C.2 1 noname -0.0237 6 C5 -0.0924 7.3245 4.0894 C.2 1 noname -0.0552 7 N1 -2.6264 5.1376 2.6025 N.3 1 noname 0.0059 8 C6 -0.7035 6.3346 3.3014 C.2 1 noname -0.0554 9 C7 -3.7795 5.2036 1.8795 C.2 1 noname 0.0452 10 N2 -4.5235 6.3407 1.8616 N.2 1 noname -0.2334 11 C8 -4.2115 4.0927 1.1216 C.2 1 noname -0.0070 12 C9 -5.6696 6.4567 1.1536 C.2 1 noname 0.0494 13 C10 -5.4165 4.2398 0.3876 C.2 1 noname 0.0518 14 C11 -3.5146 2.8658 1.0636 C.2 1 noname -0.0209 15 N3 -6.1036 5.4058 0.4246 N.2 1 noname -0.2441 16 C12 -5.9066 3.1728 -0.3872 C.2 1 noname -0.0084 17 C13 -4.0116 1.8048 0.2877 C.2 1 noname -0.0521 18 C14 -5.2046 1.9579 -0.4372 C.2 1 noname -0.0368 19 H1 -3.8674 6.7385 4.3464 H 1 noname 0.0650 20 H2 -0.4224 8.8255 5.5324 H 1 noname 0.0633 21 H3 0.9144 7.4776 4.0264 H 1 noname 0.0623 22 H4 -2.1095 4.3206 2.5275 H 1 noname 0.1357 23 H5 -0.1315 5.7706 2.6715 H 1 noname 0.0639 24 H6 -6.1986 7.3288 1.1697 H 1 noname 0.1062 25 H7 -2.6456 2.7348 1.5836 H 1 noname 0.0630 26 H8 -6.7736 3.2808 -0.9152 H 1 noname 0.0645 27 H9 -3.5036 0.9209 0.2497 H 1 noname 0.0622 28 H10 -5.5626 1.1849 -0.9991 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 21 1 12 7 9 1 13 7 22 1 14 8 23 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 24 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 25 1 26 16 18 1 27 16 26 1 28 17 18 2 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1