@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3518 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 1.5638 1.5638 1.7377 N.2 1 noname -0.2557 2 C1 0.5158 2.3478 1.3737 C.2 1 noname 0.0395 3 C2 1.6267 0.2439 1.4487 C.2 1 noname 0.0446 4 N2 0.4897 3.6719 1.6947 N.3 1 noname 0.0046 5 C3 -0.5612 1.7659 0.6688 C.2 1 noname -0.0313 6 N3 0.6087 -0.3320 0.7718 N.2 1 noname -0.2653 7 C4 1.4477 4.3640 2.3648 C.2 1 noname -0.0315 8 C5 -0.4712 0.3809 0.3768 C.2 1 noname 0.0517 9 C6 -1.6992 2.4859 0.2448 C.2 1 noname -0.0186 10 C7 1.0306 5.2760 3.3528 C.2 1 noname -0.0582 11 C8 2.8247 4.2500 2.0738 C.2 1 noname -0.0582 12 C9 -1.5053 -0.2639 -0.3250 C.2 1 noname -0.0055 13 C10 -2.7292 1.8360 -0.4571 C.2 1 noname -0.0471 14 C11 1.9726 6.0411 4.0629 C.2 1 noname -0.0630 15 C12 3.7676 5.0151 2.7818 C.2 1 noname -0.0630 16 C13 -2.6333 0.4620 -0.7430 C.2 1 noname -0.0062 17 C14 3.3415 5.9081 3.7789 C.2 1 noname -0.0830 18 N4 -3.6174 -0.1549 -1.4160 N.3 1 noname -0.1519 19 H1 2.4327 -0.3090 1.7388 H 1 noname 0.1062 20 H2 -0.3122 4.1620 1.4628 H 1 noname 0.1357 21 H3 -1.7883 3.4830 0.4408 H 1 noname 0.0631 22 H4 0.0366 5.3830 3.5629 H 1 noname 0.0639 23 H5 3.1436 3.6140 1.3428 H 1 noname 0.0639 24 H6 -1.4343 -1.2609 -0.5310 H 1 noname 0.0662 25 H7 -3.5473 2.3660 -0.7600 H 1 noname 0.0639 26 H8 1.6615 6.6951 4.7819 H 1 noname 0.0623 27 H9 4.7616 4.9231 2.5699 H 1 noname 0.0623 28 H10 4.0265 6.4622 4.2940 H 1 noname 0.0622 29 H11 -4.3964 0.3451 -1.7059 H 1 noname 0.1242 30 H12 -3.5504 -1.1018 -1.6129 H 1 noname 0.1242 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 21 1 17 10 14 1 18 10 22 1 19 11 15 2 20 11 23 1 21 12 16 1 22 12 24 1 23 13 16 2 24 13 25 1 25 14 17 2 26 14 26 1 27 15 17 1 28 15 27 1 29 16 18 1 30 17 28 1 31 18 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1