@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3327 32 34 1 SMALL USER_CHARGES @ATOM 1 N1 3.2134 1.3887 0.0000 N.2 1 noname -0.2177 2 C1 2.1594 2.1257 0.4400 C.2 1 noname 0.0583 3 C2 3.0964 0.0937 -0.3739 C.2 1 noname 0.0594 4 N2 2.3204 3.4257 0.8160 N.3 1 noname 0.0073 5 C3 0.8904 1.5148 0.5200 C.2 1 noname 0.0028 6 N3 1.8874 -0.5061 -0.3079 N.2 1 noname -0.2357 7 C4 3.4763 4.1408 0.8021 C.2 1 noname -0.0335 8 C5 0.7904 0.1588 0.1250 C.2 1 noname 0.0249 9 C6 -0.2775 2.1638 0.9650 C.2 1 noname 0.0256 10 C7 4.3932 4.1068 -0.2708 C.2 1 noname -0.0634 11 C8 3.7332 4.9908 1.8941 C.2 1 noname -0.0668 12 C9 -0.4436 -0.5100 0.1791 C.2 1 noname 0.0085 13 N4 -1.4526 1.4869 1.0061 N.2 1 noname -0.2577 14 C10 5.5672 4.8838 -0.2417 C.2 1 noname -0.0605 15 C11 4.9002 5.7718 1.9302 C.2 1 noname -0.0650 16 C12 -1.5706 0.1899 0.6341 C.2 1 noname 0.0377 17 C13 5.8171 5.7149 0.8672 C.2 1 noname -0.0879 18 C14 6.5121 4.8159 -1.3676 C.3 1 noname -0.0017 19 N5 -2.7666 -0.4079 0.7072 N.3 1 noname -0.1172 20 H1 3.9123 -0.4231 -0.7009 H 1 noname 0.1062 21 H2 1.5403 3.8768 1.1741 H 1 noname 0.1357 22 H3 -0.2556 3.1408 1.2591 H 1 noname 0.0848 23 H4 4.2052 3.5149 -1.0807 H 1 noname 0.0642 24 H5 3.0722 5.0408 2.6702 H 1 noname 0.0639 25 H6 -0.5166 -1.4880 -0.1048 H 1 noname 0.0679 26 H7 5.0831 6.3799 2.7292 H 1 noname 0.0623 27 H8 6.6641 6.2829 0.9023 H 1 noname 0.0625 28 H9 7.3691 5.4719 -1.2046 H 1 noname 0.0279 29 H10 6.8730 3.7920 -1.4796 H 1 noname 0.0279 30 H11 6.0081 5.1199 -2.2866 H 1 noname 0.0279 31 H12 -2.8647 -1.3369 0.4452 H 1 noname 0.1257 32 H13 -3.5346 0.0900 1.0252 H 1 noname 0.1257 @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 16 2 24 14 17 2 25 14 18 1 26 15 17 1 27 15 26 1 28 16 19 1 29 17 27 1 30 18 28 1 31 18 29 1 32 18 30 1 33 19 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1