@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441549 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.0164 -5.7061 1.3147 O.2 1 noname -0.2809 2 C1 3.1584 -5.2740 1.0418 C.2 1 noname 0.0643 3 N1 3.3104 -3.9419 0.7998 N.3 1 noname 0.0142 4 C2 4.2804 -6.1350 0.9838 C.2 1 noname 0.0683 5 C3 4.5183 -3.3869 0.4948 C.2 1 noname -0.0806 6 N2 4.1573 -7.4650 1.2198 N.2 1 noname -0.2033 7 C4 5.5463 -5.5829 0.6708 C.2 1 noname 0.0661 8 C5 5.6623 -4.1898 0.4239 C.2 1 noname -0.0068 9 C6 5.2213 -8.2969 1.1659 C.2 1 noname 0.0608 10 C7 6.6403 -6.4719 0.6249 C.2 1 noname 0.0675 11 N3 6.4402 -7.7909 0.8709 N.2 1 noname -0.2011 12 N4 7.8873 -6.0328 0.3349 N.3 1 noname -0.2244 13 C8 9.0352 -6.8788 0.2739 C.3 1 noname 0.0296 14 C9 10.2842 -6.1267 -0.2179 C.3 1 noname 0.0672 15 C10 9.4752 -7.3177 1.6790 C.3 1 noname -0.0307 16 C11 10.0821 -5.3627 -1.3379 C.1 1 noname 0.0647 17 C12 10.7282 -5.3117 1.0070 C.3 1 noname -0.0350 18 C13 10.3192 -6.1567 2.2230 C.3 1 noname -0.0497 19 N5 9.9071 -4.7206 -2.2728 N.1 1 noname -0.1945 20 H1 2.5283 -3.3709 0.8448 H 1 noname 0.1368 21 H2 4.5863 -2.3838 0.3199 H 1 noname 0.0754 22 H3 6.5633 -3.7678 0.1959 H 1 noname 0.0641 23 H4 5.1072 -9.2939 1.3459 H 1 noname 0.1062 24 H5 8.0072 -5.0918 0.1359 H 1 noname 0.1500 25 H6 8.8402 -7.7458 -0.3619 H 1 noname 0.0556 26 H7 11.0602 -6.8607 -0.4439 H 1 noname 0.0484 27 H8 8.6261 -7.5247 2.3311 H 1 noname 0.0290 28 H9 10.0981 -8.2097 1.5970 H 1 noname 0.0290 29 H10 10.2071 -4.3516 1.0501 H 1 noname 0.0281 30 H11 11.8061 -5.1457 0.9941 H 1 noname 0.0281 31 H12 9.7241 -5.5516 2.9091 H 1 noname 0.0268 32 H13 11.2001 -6.5407 2.7391 H 1 noname 0.0268 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 21 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 22 1 14 9 11 2 15 9 23 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 24 1 20 13 14 1 21 13 15 1 22 13 25 1 23 14 16 1 24 14 17 1 25 14 26 1 26 15 18 1 27 15 27 1 28 15 28 1 29 16 19 3 30 17 18 1 31 17 29 1 32 17 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1