@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441564 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.9280 -5.7920 1.2266 O.2 1 noname -0.2810 2 C1 3.0590 -5.3519 0.9247 C.2 1 noname 0.0635 3 N1 3.1690 -4.0548 0.5207 N.3 1 noname 0.0141 4 C2 4.2140 -6.1689 0.9957 C.2 1 noname 0.0621 5 C3 4.3620 -3.4947 0.1727 C.2 1 noname -0.0814 6 N2 4.1340 -7.4619 1.3948 N.2 1 noname -0.2190 7 C4 5.4660 -5.6099 0.6398 C.2 1 noname 0.0477 8 C5 5.5360 -4.2547 0.2238 C.2 1 noname -0.0120 9 C6 5.2290 -8.2519 1.4658 C.2 1 noname 0.0554 10 C7 6.5921 -6.4559 0.7238 C.2 1 noname 0.0579 11 N3 6.4350 -7.7398 1.1309 N.2 1 noname -0.2206 12 N4 7.8301 -6.0088 0.4028 N.3 1 noname -0.1002 13 C8 8.9961 -6.8188 0.4649 C.3 1 noname 0.0140 14 C9 10.2212 -6.0547 -0.0430 C.3 1 noname -0.0214 15 C10 9.3741 -7.2378 1.8970 C.3 1 noname -0.0361 16 C11 11.3912 -6.8387 0.5630 C.3 1 noname 0.0479 17 C12 10.9072 -7.1637 1.9860 C.3 1 noname -0.0358 18 C13 12.5742 -6.1496 0.5320 C.1 1 noname 0.0631 19 N5 13.5652 -5.5706 0.5071 N.1 1 noname -0.1953 20 H1 2.3649 -3.5137 0.4798 H 1 noname 0.1368 21 H2 4.3970 -2.5196 -0.1252 H 1 noname 0.0754 22 H3 6.4250 -3.8286 -0.0381 H 1 noname 0.0641 23 H4 5.1459 -9.2230 1.7679 H 1 noname 0.1062 24 H5 7.9261 -5.0937 0.1009 H 1 noname 0.1299 25 H6 8.8651 -7.7128 -0.1490 H 1 noname 0.0469 26 H7 10.2041 -5.0296 0.3360 H 1 noname 0.0296 27 H8 10.2601 -6.0547 -1.1340 H 1 noname 0.0296 28 H9 8.9351 -6.5537 2.6251 H 1 noname 0.0283 29 H10 9.0271 -8.2528 2.0941 H 1 noname 0.0283 30 H11 11.5121 -7.7717 0.0090 H 1 noname 0.0461 31 H12 11.1821 -6.3726 2.6871 H 1 noname 0.0280 32 H13 11.3211 -8.1147 2.3251 H 1 noname 0.0280 @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 26 1 25 14 27 1 26 15 17 1 27 15 28 1 28 15 29 1 29 16 18 1 30 16 17 1 31 16 30 1 32 17 31 1 33 17 32 1 34 18 19 3 @SUBSTRUCTURE 1 noname 1