@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3678 48 51 1 SMALL USER_CHARGES @ATOM 1 N1 -1.7439 6.5509 2.0057 N.2 1 noname -0.2177 2 C1 -1.0429 5.3869 2.0238 C.2 1 noname 0.0584 3 C2 -2.8640 6.7189 1.2667 C.2 1 noname 0.0594 4 N2 0.0849 5.2600 2.7778 N.3 1 noname 0.0073 5 C3 -1.4980 4.3079 1.2368 C.2 1 noname 0.0037 6 N3 -3.3180 5.6940 0.5118 N.2 1 noname -0.2357 7 C4 0.6279 6.2070 3.5848 C.2 1 noname -0.0335 8 C5 -2.6750 4.5030 0.4748 C.2 1 noname 0.0254 9 C6 -0.8620 3.0529 1.1648 C.2 1 noname 0.0261 10 C7 -0.1351 6.9590 4.5039 C.2 1 noname -0.0634 11 C8 2.0218 6.3981 3.5339 C.2 1 noname -0.0668 12 C9 -3.1891 3.4660 -0.3200 C.2 1 noname 0.0102 13 N4 -1.3891 2.0750 0.3879 N.2 1 noname -0.2559 14 C10 0.4788 7.9081 5.3449 C.2 1 noname -0.0605 15 C11 2.6418 7.3421 4.3689 C.2 1 noname -0.0650 16 C12 -2.5191 2.2331 -0.3470 C.2 1 noname 0.0391 17 C13 1.8728 8.0961 5.2710 C.2 1 noname -0.0879 18 C14 -0.3412 8.6841 6.2880 C.3 1 noname -0.0017 19 N5 -3.0092 1.2241 -1.0949 N.3 1 noname -0.1070 20 C15 -2.3902 -0.0508 -1.1679 C.3 1 noname 0.0029 21 C16 -3.2212 -0.9747 -2.0669 C.3 1 noname -0.0239 22 C17 -2.5713 -2.3657 -2.1538 C.3 1 noname -0.0551 23 N6 -3.3283 -3.2387 -2.9858 N.3 1 noname -0.0452 24 C18 -4.5804 -3.6726 -2.7568 C.2 1 noname -0.0490 25 C19 -2.9224 -3.7966 -4.1348 C.2 1 noname -0.0717 26 N7 -4.9874 -4.4936 -3.7407 N.2 1 noname -0.2423 27 C20 -3.9654 -4.5796 -4.6048 C.2 1 noname 0.0080 28 H1 -3.3620 7.6090 1.2808 H 1 noname 0.1062 29 H2 0.5729 4.4270 2.7018 H 1 noname 0.1357 30 H3 -0.0100 2.8660 1.6939 H 1 noname 0.0848 31 H4 -1.1431 6.8131 4.5649 H 1 noname 0.0642 32 H5 2.5898 5.8521 2.8849 H 1 noname 0.0639 33 H6 -4.0401 3.6071 -0.8660 H 1 noname 0.0679 34 H7 3.6518 7.4802 4.3210 H 1 noname 0.0623 35 H8 2.3317 8.7792 5.8750 H 1 noname 0.0625 36 H9 0.2727 9.3752 6.8690 H 1 noname 0.0279 37 H10 -1.0862 9.2592 5.7360 H 1 noname 0.0279 38 H11 -0.8502 8.0062 6.9750 H 1 noname 0.0279 39 H12 -3.8232 1.3742 -1.6019 H 1 noname 0.1296 40 H13 -1.3853 0.0512 -1.5829 H 1 noname 0.0433 41 H14 -2.3243 -0.4857 -0.1689 H 1 noname 0.0433 42 H15 -4.2263 -1.0667 -1.6518 H 1 noname 0.0296 43 H16 -3.2853 -0.5447 -3.0678 H 1 noname 0.0296 44 H17 -1.5593 -2.2506 -2.5498 H 1 noname 0.0473 45 H18 -2.5023 -2.7946 -1.1528 H 1 noname 0.0473 46 H19 -5.1464 -3.4156 -1.9477 H 1 noname 0.1015 47 H20 -2.0144 -3.6706 -4.5837 H 1 noname 0.0808 48 H21 -3.9575 -5.1295 -5.4637 H 1 noname 0.0853 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 28 1 7 4 7 1 8 4 29 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 30 1 17 10 14 1 18 10 31 1 19 11 15 2 20 11 32 1 21 12 16 1 22 12 33 1 23 13 16 2 24 14 17 2 25 14 18 1 26 15 17 1 27 15 34 1 28 16 19 1 29 17 35 1 30 18 36 1 31 18 37 1 32 18 38 1 33 19 20 1 34 19 39 1 35 20 21 1 36 20 40 1 37 20 41 1 38 21 22 1 39 21 42 1 40 21 43 1 41 22 23 1 42 22 44 1 43 22 45 1 44 23 24 1 45 23 25 1 46 24 26 2 47 24 46 1 48 25 27 2 49 25 47 1 50 26 27 1 51 27 48 1 @SUBSTRUCTURE 1 noname 1