@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4283 37 39 1 SMALL USER_CHARGES @ATOM 1 N1 7.7312 -0.6932 -0.9532 N.1 1 noname -0.1751 2 C1 7.7432 -0.7991 0.1927 C.1 1 noname 0.0930 3 C2 7.7591 -0.9151 1.4907 C.2 1 noname 0.0742 4 C3 8.0111 0.1719 2.1628 C.1 1 noname 0.0930 5 C4 7.3011 -2.0730 2.1478 C.2 1 noname 0.0114 6 N2 8.2351 1.1329 2.7518 N.1 1 noname -0.1751 7 C5 7.0430 -3.3190 1.5138 C.2 1 noname -0.0737 8 C6 7.9060 -3.8300 0.5259 C.2 1 noname -0.0481 9 C7 5.8610 -4.0310 1.8329 C.2 1 noname -0.0526 10 C8 7.5589 -4.9959 -0.1560 C.2 1 noname -0.0580 11 C9 5.5059 -5.1840 1.1139 C.2 1 noname -0.0634 12 C10 6.3779 -5.6579 0.1210 C.2 1 noname -0.0295 13 C11 8.3239 -5.6519 -1.2030 C.3 1 noname 0.0173 14 N3 6.2759 -6.7289 -0.6939 N.3 1 noname -0.1315 15 C12 7.4199 -6.8569 -1.5339 C.3 1 noname 0.0076 16 C13 5.1918 -7.6638 -0.7209 C.3 1 noname 0.0282 17 C14 3.9848 -7.0458 -1.3259 C.2 1 noname -0.0485 18 C15 4.0278 -6.5568 -2.6468 C.2 1 noname -0.0530 19 C16 2.7938 -6.9088 -0.5888 C.2 1 noname -0.0530 20 C17 2.9027 -5.9398 -3.2218 C.2 1 noname -0.0594 21 C18 1.6667 -6.2937 -1.1608 C.2 1 noname -0.0594 22 C19 1.7207 -5.8097 -2.4777 C.2 1 noname -0.0613 23 H1 6.9780 -1.9560 3.1119 H 1 noname 0.0650 24 H2 8.7949 -3.3660 0.3009 H 1 noname 0.0632 25 H3 5.2179 -3.6530 2.5269 H 1 noname 0.0629 26 H4 4.5999 -5.6369 1.2700 H 1 noname 0.0639 27 H5 9.2959 -5.9709 -0.8229 H 1 noname 0.0330 28 H6 8.4599 -5.0029 -2.0729 H 1 noname 0.0330 29 H7 7.1249 -6.8229 -2.5839 H 1 noname 0.0438 30 H8 7.9448 -7.7918 -1.3259 H 1 noname 0.0438 31 H9 5.4768 -8.5278 -1.3269 H 1 noname 0.0485 32 H10 5.0128 -8.0128 0.2991 H 1 noname 0.0485 33 H11 4.8897 -6.6327 -3.1888 H 1 noname 0.0626 34 H12 2.7547 -7.2427 0.3771 H 1 noname 0.0626 35 H13 2.9517 -5.5747 -4.1748 H 1 noname 0.0622 36 H14 0.8127 -6.1857 -0.6127 H 1 noname 0.0622 37 H15 0.9026 -5.3547 -2.8917 H 1 noname 0.0622 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 3 5 2 5 4 6 3 6 5 7 1 7 5 23 1 8 7 8 2 9 7 9 1 10 8 10 1 11 8 24 1 12 9 11 2 13 9 25 1 14 10 12 2 15 10 13 1 16 11 12 1 17 11 26 1 18 12 14 1 19 13 15 1 20 13 27 1 21 13 28 1 22 14 16 1 23 14 15 1 24 15 29 1 25 15 30 1 26 16 17 1 27 16 31 1 28 16 32 1 29 17 18 2 30 17 19 1 31 18 20 1 32 18 33 1 33 19 21 2 34 19 34 1 35 20 22 2 36 20 35 1 37 21 22 1 38 21 36 1 39 22 37 1 @SUBSTRUCTURE 1 noname 1