@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3681 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 -1.1219 1.8992 0.4314 N.2 1 noname -0.2038 2 C1 -2.2880 1.2392 0.2274 C.2 1 noname 0.0946 3 C2 0.0690 1.3632 0.0634 C.2 1 noname 0.0554 4 N2 -2.2640 0.0172 -0.3575 N.2 1 noname -0.2181 5 N3 -3.4721 1.7663 0.5915 N.3 1 noname -0.0712 6 C3 1.2910 2.0283 0.2674 C.2 1 noname 0.0892 7 C4 0.1169 0.0922 -0.5465 C.2 1 noname 0.0306 8 C5 -1.1040 -0.5677 -0.7455 C.2 1 noname 0.0554 9 C6 -3.5921 3.0363 1.2105 C.3 1 noname -0.0086 10 N4 2.4450 1.4233 -0.1214 N.2 1 noname -0.2089 11 N5 1.2750 3.2484 0.8645 N.3 1 noname 0.0149 12 N6 1.2999 -0.4547 -0.9144 N.2 1 noname -0.2297 13 C7 2.4650 0.2023 -0.7054 C.2 1 noname 0.0626 14 C8 2.3490 4.0254 1.1595 C.2 1 noname -0.0314 15 C9 3.4260 4.2275 0.2686 C.2 1 noname -0.0576 16 C10 2.3519 4.6955 2.3986 C.2 1 noname -0.0576 17 C11 4.4980 5.0655 0.6246 C.2 1 noname -0.0629 18 C12 3.4219 5.5335 2.7557 C.2 1 noname -0.0629 19 C13 4.4969 5.7166 1.8697 C.2 1 noname -0.0825 20 H1 -4.2761 1.2503 0.4215 H 1 noname 0.1308 21 H2 -1.1231 -1.4897 -1.1814 H 1 noname 0.0864 22 H3 -4.6452 3.2394 1.4086 H 1 noname 0.0396 23 H4 -3.0441 3.0464 2.1536 H 1 noname 0.0396 24 H5 -3.1981 3.8124 0.5525 H 1 noname 0.0396 25 H6 0.4079 3.5734 1.1545 H 1 noname 0.1358 26 H7 3.3510 -0.2196 -0.9844 H 1 noname 0.1062 27 H8 3.4309 3.7715 -0.6433 H 1 noname 0.0639 28 H9 1.5739 4.5715 3.0487 H 1 noname 0.0639 29 H10 5.2740 5.2026 -0.0223 H 1 noname 0.0623 30 H11 3.4179 6.0096 3.6588 H 1 noname 0.0623 31 H12 5.2739 6.3256 2.1288 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 2 8 5 9 1 9 5 20 1 10 6 10 1 11 6 11 1 12 7 12 2 13 7 8 1 14 8 21 1 15 9 22 1 16 9 23 1 17 9 24 1 18 10 13 2 19 11 14 1 20 11 25 1 21 12 13 1 22 13 26 1 23 14 15 2 24 14 16 1 25 15 17 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 19 2 30 17 29 1 31 18 19 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1