@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3803 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0412 0.4337 N.2 1 noname -0.2287 2 C1 -1.0460 -0.2142 0.5518 C.2 1 noname 0.0113 3 C2 1.0369 -0.2602 0.0788 C.2 1 noname -0.0318 4 C3 -0.6360 1.0857 0.2638 C.2 1 noname -0.0471 5 C4 -2.3750 -0.5042 0.8978 C.2 1 noname -0.0105 6 N2 0.6789 1.0387 -0.0331 N.3 1 noname -0.0168 7 C5 -1.5580 2.1487 0.3009 C.2 1 noname -0.0304 8 C6 -3.3021 0.5558 0.9448 C.2 1 noname -0.0439 9 C7 1.5119 2.0747 -0.3611 C.2 1 noname -0.0372 10 C8 -2.8961 1.8738 0.6469 C.2 1 noname -0.0469 11 C9 2.3618 2.0228 -1.4940 C.2 1 noname -0.0327 12 C10 1.5498 3.2268 0.4568 C.2 1 noname -0.0585 13 N3 2.3468 0.9729 -2.3340 N.3 1 noname -0.1505 14 C11 3.2247 3.0948 -1.7870 C.2 1 noname -0.0711 15 C12 2.4098 4.2968 0.1599 C.2 1 noname -0.0929 16 C13 3.2497 4.2299 -0.9619 C.2 1 noname -0.0878 17 H1 1.9819 -0.6162 -0.0771 H 1 noname 0.1019 18 H2 -2.6631 -1.4601 1.1078 H 1 noname 0.0645 19 H3 -1.2691 3.1018 0.0779 H 1 noname 0.0643 20 H4 -4.2741 0.3678 1.1939 H 1 noname 0.0623 21 H5 -3.5771 2.6328 0.6799 H 1 noname 0.0623 22 H6 0.9548 3.2848 1.2839 H 1 noname 0.0643 23 H7 2.9537 0.9469 -3.0910 H 1 noname 0.1243 24 H8 1.7157 0.2489 -2.1990 H 1 noname 0.1243 25 H9 3.8337 3.0539 -2.6059 H 1 noname 0.0639 26 H10 2.4257 5.1208 0.7609 H 1 noname 0.0623 27 H11 3.8756 5.0059 -1.1789 H 1 noname 0.0623 @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 14 1 21 12 15 2 22 12 22 1 23 13 23 1 24 13 24 1 25 14 16 2 26 14 25 1 27 15 16 1 28 15 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1