@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3815 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.5436 5.6684 1.5436 O.2 1 noname -0.1446 2 N1 2.3246 5.4724 0.6507 N.2 1 noname -0.0148 3 O2 3.0675 6.3835 0.3817 O.3 1 noname -0.1446 4 C1 2.3655 4.2835 -0.0252 C.2 1 noname 0.0336 5 C2 1.4885 3.2256 0.3088 C.2 1 noname 0.0307 6 C3 3.2885 4.0756 -1.0741 C.2 1 noname 0.0023 7 C4 1.5075 1.9917 -0.3771 C.2 1 noname 0.0042 8 C5 3.3345 2.8546 -1.7620 C.2 1 noname -0.0340 9 N2 0.6514 0.9737 -0.0381 N.3 1 noname -0.0175 10 C6 2.4524 1.8207 -1.4130 C.2 1 noname -0.0205 11 C7 -0.6565 1.0397 0.2929 C.2 1 noname -0.0474 12 C8 0.9794 -0.3371 0.0319 C.2 1 noname -0.0321 13 C9 -1.0845 -0.2571 0.5719 C.2 1 noname 0.0113 14 C10 -1.5665 2.1137 0.3609 C.2 1 noname -0.0304 15 N3 -0.0615 -1.1030 0.4079 N.2 1 noname -0.2288 16 C11 -2.4075 -0.5330 0.9489 C.2 1 noname -0.0105 17 C12 -2.8995 1.8538 0.7379 C.2 1 noname -0.0469 18 C13 -3.3165 0.5389 1.0339 C.2 1 noname -0.0439 19 H1 0.8335 3.3576 1.0788 H 1 noname 0.0667 20 H2 3.9354 4.8196 -1.3391 H 1 noname 0.0647 21 H3 4.0074 2.7176 -2.5160 H 1 noname 0.0624 22 H4 2.4933 0.9398 -1.9279 H 1 noname 0.0642 23 H5 1.9093 -0.7131 -0.1620 H 1 noname 0.1019 24 H6 -1.2765 3.0648 0.1370 H 1 noname 0.0643 25 H7 -2.7036 -1.4870 1.1530 H 1 noname 0.0645 26 H8 -3.5685 2.6228 0.7950 H 1 noname 0.0623 27 H9 -4.2846 0.3629 1.3060 H 1 noname 0.0623 @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 22 1 17 11 13 2 18 11 14 1 19 12 15 2 20 12 23 1 21 13 16 1 22 13 15 1 23 14 17 2 24 14 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