@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442698 37 39 1 SMALL USER_CHARGES @ATOM 1 N1 13.6936 -12.6423 0.7814 N.2 1 noname -0.2380 2 C1 12.5596 -13.3683 0.5914 C.2 1 noname 0.0624 3 C2 14.9026 -13.2323 0.6374 C.2 1 noname 0.0282 4 N2 11.3465 -12.7922 0.7315 N.3 1 noname -0.1010 5 C3 12.6385 -14.7312 0.2445 C.2 1 noname -0.0226 6 N3 15.0065 -14.5342 0.3075 N.3 1 noname -0.0815 7 C4 16.1856 -12.7172 0.7725 C.2 1 noname 0.0605 8 C5 11.1805 -11.4272 1.0855 C.3 1 noname 0.0142 9 C6 13.9125 -15.3082 0.1056 C.2 1 noname -0.0456 10 N4 16.2495 -14.8902 0.2235 N.2 1 noname -0.3032 11 C7 16.5775 -11.4061 1.1025 C.2 1 noname 0.0143 12 C8 17.0045 -13.8102 0.5005 C.2 1 noname 0.0446 13 C9 9.6834 -11.0891 1.1546 C.3 1 noname 0.0106 14 C10 15.7684 -10.3071 1.3716 C.2 1 noname 0.0291 15 C11 17.8695 -10.9151 1.2316 C.2 1 noname -0.0549 16 N5 9.4474 -9.7410 1.7126 N.3 1 noname -0.3080 17 N6 16.5434 -9.2431 1.6396 N.2 1 noname -0.2965 18 N7 17.7814 -9.6171 1.5536 N.3 1 noname -0.0145 19 C12 9.9254 -8.6860 0.7977 C.3 1 noname -0.0136 20 C13 8.0043 -9.5560 1.9527 C.3 1 noname -0.0136 21 H1 10.5555 -13.3342 0.5865 H 1 noname 0.1296 22 H2 11.7965 -15.2882 0.0985 H 1 noname 0.0670 23 H3 11.6645 -10.7991 0.3366 H 1 noname 0.0445 24 H4 11.6344 -11.2421 2.0606 H 1 noname 0.0445 25 H5 14.0115 -16.2932 -0.1433 H 1 noname 0.0815 26 H6 18.0245 -13.8011 0.5086 H 1 noname 0.0864 27 H7 9.2034 -11.8261 1.8016 H 1 noname 0.0443 28 H8 9.2484 -11.1661 0.1566 H 1 noname 0.0443 29 H9 14.7474 -10.3011 1.3666 H 1 noname 0.0863 30 H10 18.7344 -11.4410 1.1056 H 1 noname 0.0813 31 H11 18.5424 -9.0340 1.7017 H 1 noname 0.1747 32 H12 9.6663 -7.7049 1.1987 H 1 noname 0.0394 33 H13 11.0083 -8.7380 0.7007 H 1 noname 0.0394 34 H14 9.4693 -8.7999 -0.1872 H 1 noname 0.0394 35 H15 7.8253 -8.5710 2.3867 H 1 noname 0.0394 36 H16 7.4483 -9.6410 1.0167 H 1 noname 0.0394 37 H17 7.6463 -10.3120 2.6517 H 1 noname 0.0394 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 1 8 4 21 1 9 5 9 2 10 5 22 1 11 6 10 1 12 6 9 1 13 7 11 1 14 7 12 1 15 8 13 1 16 8 23 1 17 8 24 1 18 9 25 1 19 10 12 2 20 11 14 1 21 11 15 2 22 12 26 1 23 13 16 1 24 13 27 1 25 13 28 1 26 14 17 2 27 14 29 1 28 15 18 1 29 15 30 1 30 16 19 1 31 16 20 1 32 17 18 1 33 18 31 1 34 19 32 1 35 19 33 1 36 19 34 1 37 20 35 1 38 20 36 1 39 20 37 1 @SUBSTRUCTURE 1 noname 1