@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3821 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0468 0.5233 N.2 1 noname -0.2288 2 C1 -1.0530 -0.2238 0.5633 C.2 1 noname 0.0113 3 C2 1.0459 -0.2728 0.1803 C.2 1 noname -0.0322 4 C3 -0.6390 1.0672 0.2384 C.2 1 noname -0.0474 5 C4 -2.3901 -0.5117 0.8784 C.2 1 noname -0.0105 6 N2 0.6869 1.0182 -0.0086 N.3 1 noname -0.0175 7 C5 -1.5651 2.1292 0.2464 C.2 1 noname -0.0304 8 C6 -3.3221 0.5432 0.8714 C.2 1 noname -0.0439 9 C7 1.5329 2.0342 -0.3785 C.2 1 noname -0.0313 10 C8 -2.9121 1.8573 0.5604 C.2 1 noname -0.0469 11 C9 1.1418 3.0083 -1.3235 C.2 1 noname -0.0560 12 C10 2.8358 2.1193 0.1644 C.2 1 noname -0.0560 13 C11 2.0138 4.0433 -1.7005 C.2 1 noname -0.0653 14 C12 3.7098 3.1524 -0.2104 C.2 1 noname -0.0653 15 C13 3.3037 4.1243 -1.1444 C.2 1 noname -0.0819 16 C14 4.2037 5.2164 -1.5454 C.3 1 noname -0.0065 17 H1 1.9949 -0.6338 0.0643 H 1 noname 0.1019 18 H2 -2.6781 -1.4627 1.1114 H 1 noname 0.0645 19 H3 -1.2731 3.0833 0.0365 H 1 noname 0.0643 20 H4 -4.3002 0.3583 1.0985 H 1 noname 0.0623 21 H5 -3.5942 2.6163 0.5675 H 1 noname 0.0623 22 H6 0.2198 2.9603 -1.7565 H 1 noname 0.0642 23 H7 3.1498 1.4293 0.8475 H 1 noname 0.0642 24 H8 1.7077 4.7374 -2.3835 H 1 noname 0.0626 25 H9 4.6438 3.1954 0.1995 H 1 noname 0.0626 26 H10 5.1637 5.1445 -1.0324 H 1 noname 0.0279 27 H11 4.3777 5.1694 -2.6214 H 1 noname 0.0279 28 H12 3.7467 6.1765 -1.2994 H 1 noname 0.0279 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 21 1 19 11 13 1 20 11 22 1 21 12 14 2 22 12 23 1 23 13 15 2 24 13 24 1 25 14 15 1 26 14 25 1 27 15 16 1 28 16 26 1 29 16 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1