@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3816 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0867 -1.0412 0.3470 N.2 1 noname -0.2288 2 C1 -1.1117 -0.1992 0.5100 C.2 1 noname 0.0113 3 C2 0.9521 -0.2722 -0.0279 C.2 1 noname -0.0321 4 C3 -0.6888 1.0997 0.2311 C.2 1 noname -0.0474 5 C4 -2.4348 -0.4782 0.8870 C.2 1 noname -0.0105 6 N2 0.6191 1.0377 -0.0989 N.3 1 noname -0.0175 7 C5 -1.6018 2.1707 0.2991 C.2 1 noname -0.0304 8 C6 -3.3468 0.5918 0.9711 C.2 1 noname -0.0439 9 C7 1.4730 2.0567 -0.4368 C.2 1 noname -0.0277 10 C8 -2.9338 1.9077 0.6752 C.2 1 noname -0.0469 11 C9 1.4600 3.2857 0.2621 C.2 1 noname -0.0654 12 C10 2.4110 1.8928 -1.4808 C.2 1 noname -0.0868 13 C11 2.3439 4.3237 -0.0808 C.2 1 noname -0.0373 14 C12 3.2959 2.9268 -1.8287 C.2 1 noname -0.0657 15 N3 2.3149 5.4828 0.5961 N.3 1 noname -0.1549 16 C13 3.2608 4.1438 -1.1297 C.2 1 noname -0.0941 17 H1 1.8831 -0.6452 -0.2209 H 1 noname 0.1019 18 H2 -2.7288 -1.4331 1.0911 H 1 noname 0.0645 19 H3 -1.3129 3.1227 0.0731 H 1 noname 0.0643 20 H4 -4.3138 0.4128 1.2431 H 1 noname 0.0623 21 H5 -3.6048 2.6737 0.7322 H 1 noname 0.0623 22 H6 0.8110 3.4208 1.0381 H 1 noname 0.0659 23 H7 2.4470 1.0158 -2.0027 H 1 noname 0.0642 24 H8 3.9629 2.7938 -2.5887 H 1 noname 0.0623 25 H9 1.6868 5.6048 1.3242 H 1 noname 0.1242 26 H10 2.9238 6.1998 0.3592 H 1 noname 0.1242 27 H11 3.9068 4.8928 -1.3836 H 1 noname 0.0639 @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 1 24 13 16 2 25 14 16 1 26 14 24 1 27 15 25 1 28 15 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1