@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3865 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 -4.9801 2.6596 1.0289 O.2 1 noname -0.1445 2 N1 -3.8331 2.8466 0.7169 N.2 1 noname -0.0135 3 O2 -3.5341 3.9847 0.4519 O.3 1 noname -0.1445 4 C1 -2.9211 1.8286 0.6679 C.2 1 noname 0.0458 5 C2 -1.5761 2.0806 0.2959 C.2 1 noname 0.0465 6 C3 -3.3002 0.4986 0.9840 C.2 1 noname 0.0342 7 C4 -0.6471 1.0226 0.2580 C.2 1 noname -0.0203 8 C5 -2.3752 -0.5613 0.9290 C.2 1 noname 0.0135 9 N2 0.6648 0.9747 -0.0569 N.3 1 noname 0.0149 10 C6 -1.0542 -0.2743 0.5580 C.2 1 noname 0.0306 11 C7 1.5068 2.0008 -0.4029 C.2 1 noname -0.0233 12 C8 1.0148 -0.3292 0.0410 C.2 1 noname -0.0262 13 N3 -0.0162 -1.1053 0.4211 N.2 1 noname -0.2255 14 C9 2.4628 1.8318 -1.4319 C.2 1 noname -0.0527 15 C10 1.4637 3.2429 0.2701 C.2 1 noname -0.0527 16 C11 3.3337 2.8759 -1.7878 C.2 1 noname -0.0616 17 C12 2.3327 4.2890 -0.0837 C.2 1 noname -0.0616 18 C13 3.2677 4.1060 -1.1148 C.2 1 noname -0.0832 19 H1 -1.2851 3.0267 0.0500 H 1 noname 0.0667 20 H2 -4.2633 0.2976 1.2540 H 1 noname 0.0647 21 H3 -2.6592 -1.5153 1.1501 H 1 noname 0.0646 22 H4 1.9538 -0.6922 -0.1338 H 1 noname 0.1019 23 H5 2.5197 0.9468 -1.9358 H 1 noname 0.0642 24 H6 0.8057 3.3879 1.0362 H 1 noname 0.0642 25 H7 4.0147 2.7389 -2.5358 H 1 noname 0.0623 26 H8 2.2887 5.1790 0.4122 H 1 noname 0.0623 27 H9 3.8997 4.8640 -1.3727 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 19 1 8 6 8 2 9 6 20 1 10 7 9 1 11 7 10 2 12 8 10 1 13 8 21 1 14 9 11 1 15 9 12 1 16 10 13 1 17 11 14 2 18 11 15 1 19 12 13 2 20 12 22 1 21 14 16 1 22 14 23 1 23 15 17 2 24 15 24 1 25 16 18 2 26 16 25 1 27 17 18 1 28 17 26 1 29 18 27 1 @SUBSTRUCTURE 1 noname 1