@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3818 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.5551 5.7106 1.4687 O.2 1 noname -0.3034 2 C1 2.3521 5.4777 0.5717 C.2 1 noname 0.0884 3 C2 2.3720 4.2738 -0.1021 C.2 1 noname -0.0211 4 C3 1.4920 3.2218 0.2348 C.2 1 noname -0.0154 5 C4 3.2920 4.0768 -1.1511 C.2 1 noname -0.0446 6 C5 1.5090 1.9899 -0.4570 C.2 1 noname -0.0109 7 C6 3.3329 2.8569 -1.8440 C.2 1 noname -0.0491 8 N1 0.6539 0.9710 -0.1180 N.3 1 noname -0.0175 9 C7 2.4499 1.8219 -1.4960 C.2 1 noname -0.0358 10 C8 -0.6540 1.0340 0.2109 C.2 1 noname -0.0474 11 C9 0.9859 -0.3389 -0.0470 C.2 1 noname -0.0322 12 C10 -1.0790 -0.2638 0.4900 C.2 1 noname 0.0113 13 C11 -1.5670 2.1060 0.2769 C.2 1 noname -0.0304 14 N2 -0.0541 -1.1078 0.3280 N.2 1 noname -0.2288 15 C12 -2.4020 -0.5418 0.8650 C.2 1 noname -0.0105 16 C13 -2.9000 1.8431 0.6510 C.2 1 noname -0.0469 17 C14 -3.3140 0.5281 0.9470 C.2 1 noname -0.0439 18 H1 2.9970 6.1917 0.3288 H 1 noname 0.1098 19 H2 0.8380 3.3508 1.0078 H 1 noname 0.0650 20 H3 3.9409 4.8208 -1.4150 H 1 noname 0.0630 21 H4 4.0039 2.7219 -2.6010 H 1 noname 0.0623 22 H5 2.4898 0.9440 -2.0139 H 1 noname 0.0642 23 H6 1.9168 -0.7119 -0.2369 H 1 noname 0.1019 24 H7 -1.2770 3.0570 0.0530 H 1 noname 0.0643 25 H8 -2.6971 -1.4967 1.0710 H 1 noname 0.0645 26 H9 -3.5701 2.6101 0.7070 H 1 noname 0.0623 27 H10 -4.2820 0.3492 1.2161 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 18 1 4 3 4 2 5 3 5 1 6 4 6 1 7 4 19 1 8 5 7 2 9 5 20 1 10 6 8 1 11 6 9 2 12 7 9 1 13 7 21 1 14 8 10 1 15 8 11 1 16 9 22 1 17 10 12 2 18 10 13 1 19 11 14 2 20 11 23 1 21 12 15 1 22 12 14 1 23 13 16 2 24 13 24 1 25 15 17 2 26 15 25 1 27 16 17 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1