@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3307 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 7.8912 6.0001 -1.1123 O.2 1 noname -0.1453 2 N1 6.8021 6.4322 -0.8383 N.2 1 noname -0.0213 3 O2 6.7081 7.6323 -0.7632 O.3 1 noname -0.1453 4 C1 5.7310 5.6092 -0.6242 C.2 1 noname 0.0096 5 C2 4.4609 6.1353 -0.3032 C.2 1 noname 0.0262 6 C3 5.8590 4.2062 -0.7172 C.2 1 noname 0.0262 7 C4 3.3608 5.2893 -0.0851 C.2 1 noname -0.0289 8 C5 4.7589 3.3592 -0.5001 C.2 1 noname -0.0289 9 C6 3.4888 3.8902 -0.1811 C.2 1 noname 0.0041 10 N2 2.3437 3.1833 0.0519 N.3 1 noname 0.0111 11 C7 2.1117 1.8382 0.0369 C.2 1 noname 0.0583 12 N3 3.0867 0.9372 -0.2429 N.2 1 noname -0.2176 13 C8 0.8146 1.3533 0.3210 C.2 1 noname 0.0029 14 C9 2.8786 -0.3997 -0.2629 C.2 1 noname 0.0594 15 C10 0.6135 -0.0487 0.2970 C.2 1 noname 0.0249 16 C11 -0.2904 2.1734 0.6281 C.2 1 noname 0.0256 17 N4 1.6435 -0.8777 0.0081 N.2 1 noname -0.2357 18 C12 -0.6505 -0.5947 0.5741 C.2 1 noname 0.0085 19 N5 -1.4975 1.6124 0.8911 N.2 1 noname -0.2577 20 C13 -1.7096 0.2743 0.8741 C.2 1 noname 0.0377 21 N6 -2.9317 -0.2006 1.1481 N.3 1 noname -0.1172 22 H1 4.3329 7.1454 -0.2261 H 1 noname 0.0647 23 H2 6.7639 3.7932 -0.9461 H 1 noname 0.0647 24 H3 2.4567 5.7043 0.1448 H 1 noname 0.0640 25 H4 4.9058 2.3562 -0.5801 H 1 noname 0.0640 26 H5 1.5706 3.7283 0.2619 H 1 noname 0.1357 27 H6 3.6436 -1.0377 -0.4789 H 1 noname 0.1062 28 H7 -0.1995 3.1884 0.6581 H 1 noname 0.0848 29 H8 -0.7935 -1.6057 0.5571 H 1 noname 0.0679 30 H9 -3.0968 -1.1556 1.1422 H 1 noname 0.1257 31 H10 -3.6508 0.4154 1.3542 H 1 noname 0.1257 @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 22 1 8 6 8 2 9 6 23 1 10 7 9 2 11 7 24 1 12 8 9 1 13 8 25 1 14 9 10 1 15 10 11 1 16 10 26 1 17 11 12 2 18 11 13 1 19 12 14 1 20 13 15 1 21 13 16 2 22 14 17 2 23 14 27 1 24 15 18 2 25 15 17 1 26 16 19 1 27 16 28 1 28 18 20 1 29 18 29 1 30 19 20 2 31 20 21 1 32 21 30 1 33 21 31 1 @SUBSTRUCTURE 1 noname 1