@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441554 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.9483 -5.7639 1.0623 O.2 1 noname -0.2810 2 C1 3.0882 -5.3019 0.8344 C.2 1 noname 0.0635 3 N1 3.2062 -3.9799 0.5214 N.3 1 noname 0.0141 4 C2 4.2441 -6.1178 0.8954 C.2 1 noname 0.0622 5 C3 4.4081 -3.3948 0.2585 C.2 1 noname -0.0814 6 N2 4.1561 -7.4348 1.2054 N.2 1 noname -0.2188 7 C4 5.5050 -5.5328 0.6275 C.2 1 noname 0.0480 8 C5 5.5840 -4.1527 0.3045 C.2 1 noname -0.0120 9 C6 5.2520 -8.2227 1.2685 C.2 1 noname 0.0555 10 C7 6.6320 -6.3778 0.6995 C.2 1 noname 0.0580 11 N3 6.4670 -7.6867 1.0175 N.2 1 noname -0.2204 12 N4 7.8789 -5.9047 0.4625 N.3 1 noname -0.0985 13 C8 9.0518 -6.7047 0.5336 C.3 1 noname 0.0388 14 C9 10.3078 -5.8686 0.2746 C.3 1 noname 0.0698 15 C10 9.1228 -7.7836 -0.5572 C.3 1 noname -0.0347 16 O2 10.6747 -5.0996 1.4127 O.3 1 noname -0.3914 17 C11 11.3717 -6.9146 -0.0662 C.3 1 noname -0.0254 18 C12 10.6197 -8.0356 -0.7962 C.3 1 noname -0.0492 19 H1 2.4022 -3.4398 0.4865 H 1 noname 0.1368 20 H2 4.4500 -2.4018 0.0285 H 1 noname 0.0754 21 H3 6.4800 -3.7067 0.1066 H 1 noname 0.0641 22 H4 5.1640 -9.2117 1.5035 H 1 noname 0.1062 23 H5 7.9838 -4.9647 0.2546 H 1 noname 0.1300 24 H6 9.1338 -7.1736 1.5166 H 1 noname 0.0495 25 H7 10.1517 -5.2156 -0.5862 H 1 noname 0.0616 26 H8 8.6657 -7.4136 -1.4761 H 1 noname 0.0283 27 H9 8.6207 -8.6966 -0.2352 H 1 noname 0.0283 28 H10 11.4986 -4.5816 1.3017 H 1 noname 0.2105 29 H11 11.8066 -7.3085 0.8537 H 1 noname 0.0293 30 H12 12.1536 -6.4875 -0.6952 H 1 noname 0.0293 31 H13 10.9107 -9.0055 -0.3911 H 1 noname 0.0268 32 H14 10.8346 -8.0025 -1.8651 H 1 noname 0.0268 @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 17 1 25 14 25 1 26 15 18 1 27 15 26 1 28 15 27 1 29 16 28 1 30 17 18 1 31 17 29 1 32 17 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1