@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441545 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.9146 -9.1167 0.9709 O.2 1 noname -0.2810 2 C1 4.0556 -8.6546 0.7499 C.2 1 noname 0.0635 3 N1 4.1696 -7.3475 0.3809 N.3 1 noname 0.0141 4 C2 5.2167 -9.4556 0.8749 C.2 1 noname 0.0621 5 C3 5.3736 -6.7624 0.1230 C.2 1 noname -0.0814 6 N2 5.1316 -10.7597 1.2390 N.2 1 noname -0.2190 7 C4 6.4797 -8.8716 0.6129 C.2 1 noname 0.0477 8 C5 6.5547 -7.5064 0.2330 C.2 1 noname -0.0120 9 C6 6.2316 -11.5347 1.3620 C.2 1 noname 0.0554 10 C7 7.6117 -9.7016 0.7520 C.2 1 noname 0.0579 11 N3 7.4476 -10.9976 1.1181 N.2 1 noname -0.2206 12 N4 8.8597 -9.2295 0.5181 N.3 1 noname -0.1001 13 C8 10.0428 -10.0075 0.6491 C.3 1 noname 0.0171 14 C9 11.2158 -9.2244 0.0361 C.3 1 noname -0.0136 15 C10 10.3567 -10.3065 2.1282 C.3 1 noname -0.0136 16 C11 12.5218 -10.0134 0.2142 C.3 1 noname 0.0482 17 C12 11.6918 -11.0565 2.2363 C.3 1 noname 0.0482 18 O2 12.7218 -10.3054 1.5963 O.3 1 noname -0.3811 19 H1 3.3625 -6.8165 0.3010 H 1 noname 0.1368 20 H2 5.4126 -5.7793 -0.1499 H 1 noname 0.0754 21 H3 7.4517 -7.0604 0.0400 H 1 noname 0.0641 22 H4 6.1456 -12.5137 1.6361 H 1 noname 0.1062 23 H5 8.9527 -8.3104 0.2241 H 1 noname 0.1299 24 H6 9.9297 -10.9465 0.1021 H 1 noname 0.0470 25 H7 11.3137 -8.2583 0.5332 H 1 noname 0.0306 26 H8 11.0347 -9.0634 -1.0278 H 1 noname 0.0306 27 H9 10.4257 -9.3694 2.6833 H 1 noname 0.0306 28 H10 9.5687 -10.9214 2.5633 H 1 noname 0.0306 29 H11 12.4688 -10.9424 -0.3547 H 1 noname 0.0566 30 H12 13.3578 -9.4174 -0.1527 H 1 noname 0.0566 31 H13 11.9467 -11.1914 3.2884 H 1 noname 0.0566 32 H14 11.6017 -12.0344 1.7633 H 1 noname 0.0566 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 20 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 21 1 14 9 11 2 15 9 22 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 23 1 20 13 14 1 21 13 15 1 22 13 24 1 23 14 16 1 24 14 25 1 25 14 26 1 26 15 17 1 27 15 27 1 28 15 28 1 29 16 18 1 30 16 29 1 31 16 30 1 32 17 18 1 33 17 31 1 34 17 32 1 @SUBSTRUCTURE 1 noname 1