@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3607 32 34 1 SMALL USER_CHARGES @ATOM 1 N1 -3.7287 6.1620 1.6463 N.2 1 noname -0.2181 2 C1 -3.2008 4.9221 1.8294 C.2 1 noname 0.0599 3 C2 -4.6827 6.4201 0.7244 C.2 1 noname 0.0598 4 N2 -2.2418 4.7181 2.7724 N.3 1 noname 0.0068 5 C3 -3.6608 3.8542 1.0294 C.2 1 noname 0.0182 6 N3 -5.1398 5.4141 -0.0534 N.2 1 noname -0.2371 7 C4 -1.7439 5.6862 3.5734 C.2 1 noname -0.0315 8 C5 -4.6608 4.1542 0.0725 C.2 1 noname 0.0101 9 C6 -3.1789 2.5322 1.1375 C.2 1 noname -0.0015 10 C7 -0.6340 6.4462 3.1575 C.2 1 noname -0.0581 11 C8 -2.3169 5.9222 4.8384 C.2 1 noname -0.0581 12 C9 -5.1479 3.1243 -0.7473 C.2 1 noname 0.0389 13 C10 -3.6999 1.5383 0.2925 C.2 1 noname 0.0344 14 C11 -0.1050 7.4412 3.9975 C.2 1 noname -0.0630 15 C12 -1.7879 6.9182 5.6774 C.2 1 noname -0.0630 16 N4 -4.6579 1.8673 -0.6123 N.2 1 noname -0.2513 17 N5 -3.2389 0.2724 0.3906 N.3 1 noname -0.1102 18 C13 -0.6830 7.6782 5.2575 C.2 1 noname -0.0830 19 C14 -3.7120 -0.7835 -0.4292 C.3 1 noname -0.0101 20 H1 -5.0538 7.3641 0.6174 H 1 noname 0.1062 21 H2 -1.8889 3.8222 2.8794 H 1 noname 0.1357 22 H3 -2.4589 2.2923 1.8195 H 1 noname 0.0664 23 H4 -0.2110 6.2772 2.2445 H 1 noname 0.0639 24 H5 -3.1199 5.3722 5.1475 H 1 noname 0.0639 25 H6 -5.8689 3.3163 -1.4443 H 1 noname 0.0863 26 H7 0.6978 7.9922 3.6935 H 1 noname 0.0623 27 H8 -2.2070 7.0892 6.5914 H 1 noname 0.0623 28 H9 -2.5550 0.0764 1.0496 H 1 noname 0.1292 29 H10 -0.2991 8.4012 5.8665 H 1 noname 0.0622 30 H11 -3.1911 -1.7034 -0.1622 H 1 noname 0.0396 31 H12 -4.7830 -0.9234 -0.2782 H 1 noname 0.0396 32 H13 -3.5190 -0.5574 -1.4792 H 1 noname 0.0396 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 20 1 7 4 7 1 8 4 21 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 22 1 17 10 14 1 18 10 23 1 19 11 15 2 20 11 24 1 21 12 16 1 22 12 25 1 23 13 17 1 24 13 16 2 25 14 18 2 26 14 26 1 27 15 18 1 28 15 27 1 29 17 19 1 30 17 28 1 31 18 29 1 32 19 30 1 33 19 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1