@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3846 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0469 0.3489 N.2 1 noname -0.2363 2 C1 -1.0410 -0.2188 0.4879 C.2 1 noname 0.0088 3 C2 1.0340 -0.2639 -0.0090 C.2 1 noname -0.0336 4 C3 -0.6320 1.0841 0.2119 C.2 1 noname -0.0536 5 C4 -2.3671 -0.5168 0.8380 C.2 1 noname -0.0136 6 N2 0.6829 1.0411 -0.0920 N.3 1 noname -0.0185 7 C5 -1.5621 2.1412 0.2570 C.2 1 noname -0.0316 8 C6 -3.3062 0.5362 0.9000 C.2 1 noname -0.0405 9 C7 1.5279 2.0712 -0.4219 C.2 1 noname -0.0236 10 C8 -2.8972 1.8582 0.6070 C.2 1 noname -0.0496 11 C9 -4.7073 0.2752 1.2611 C.3 1 noname 0.0001 12 C10 2.4959 1.9102 -1.4399 C.2 1 noname -0.0547 13 C11 1.4739 3.3103 0.2560 C.2 1 noname -0.0547 14 C12 3.3689 2.9573 -1.7819 C.2 1 noname -0.0619 15 C13 2.3448 4.3604 -0.0829 C.2 1 noname -0.0619 16 C14 3.2908 4.1854 -1.1048 C.2 1 noname -0.0850 17 H1 1.9739 -0.6228 -0.1810 H 1 noname 0.1019 18 H2 -2.6431 -1.4778 1.0380 H 1 noname 0.0648 19 H3 -1.2841 3.0963 0.0340 H 1 noname 0.0643 20 H4 -3.5762 2.6193 0.6451 H 1 noname 0.0626 21 H5 -4.8743 -0.7857 1.4561 H 1 noname 0.0279 22 H6 -4.9653 0.8393 2.1581 H 1 noname 0.0279 23 H7 -5.3593 0.5863 0.4441 H 1 noname 0.0279 24 H8 2.5619 1.0272 -1.9469 H 1 noname 0.0642 25 H9 0.8068 3.4503 1.0151 H 1 noname 0.0642 26 H10 4.0579 2.8263 -2.5229 H 1 noname 0.0623 27 H11 2.2918 5.2484 0.4161 H 1 noname 0.0623 28 H12 3.9228 4.9464 -1.3528 H 1 noname 0.0622 @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 11 1 15 8 10 1 16 9 12 2 17 9 13 1 18 10 20 1 19 11 21 1 20 11 22 1 21 11 23 1 22 12 14 1 23 12 24 1 24 13 15 2 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1