@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3866 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0867 -1.0414 0.4338 N.2 1 noname -0.2347 2 C1 -1.1238 -0.2083 0.5718 C.2 1 noname -0.0135 3 C2 0.9462 -0.2663 0.0548 C.2 1 noname -0.0349 4 C3 -0.7138 1.0897 0.2739 C.2 1 noname -0.0526 5 C4 -2.4469 -0.4963 0.9409 C.2 1 noname -0.0129 6 N2 0.5982 1.0387 -0.0421 N.3 1 noname -0.0328 7 C5 -1.6399 2.1518 0.3119 C.2 1 noname -0.0345 8 C6 -3.3729 0.5637 0.9959 C.2 1 noname -0.0464 9 C7 1.4421 2.0627 -0.3900 C.2 1 noname -0.0237 10 C8 -2.9739 1.8808 0.6790 C.2 1 noname -0.0200 11 C9 2.3931 1.8908 -1.4220 C.2 1 noname -0.0554 12 C10 1.4051 3.3048 0.2839 C.2 1 noname -0.0554 13 N3 -3.8690 2.8799 0.7240 N.3 1 noname -0.1536 14 C11 3.2671 2.9318 -1.7810 C.2 1 noname -0.0620 15 C12 2.2771 4.3469 -0.0719 C.2 1 noname -0.0620 16 C13 3.2081 4.1609 -1.1059 C.2 1 noname -0.0857 17 H1 1.8842 -0.6293 -0.1210 H 1 noname 0.1019 18 H2 -2.7309 -1.4513 1.1599 H 1 noname 0.0646 19 H3 -1.3549 3.1008 0.0699 H 1 noname 0.0659 20 H4 -4.3400 0.3727 1.2620 H 1 noname 0.0639 21 H5 2.4461 1.0058 -1.9260 H 1 noname 0.0642 22 H6 0.7490 3.4519 1.0510 H 1 noname 0.0642 23 H7 -4.7881 2.6969 0.9750 H 1 noname 0.1242 24 H8 -3.5991 3.7849 0.5030 H 1 noname 0.1242 25 H9 3.9441 2.7929 -2.5310 H 1 noname 0.0623 26 H10 2.2380 5.2380 0.4250 H 1 noname 0.0623 27 H11 3.8430 4.9170 -1.3649 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 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 13 1 19 11 14 1 20 11 21 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