@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3513 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -5.0767 2.1489 -0.7732 O.2 1 noname -0.1447 2 N1 -4.0567 2.6379 -0.3651 N.2 1 noname -0.0152 3 O2 -4.0447 3.8390 -0.2631 O.3 1 noname -0.1447 4 C1 -2.9697 1.8740 -0.0341 C.2 1 noname 0.0396 5 C2 -1.7807 2.4720 0.4429 C.2 1 noname 0.0545 6 C3 -3.0078 0.4670 -0.1600 C.2 1 noname 0.0422 7 C4 -0.6557 1.6941 0.7919 C.2 1 noname -0.0030 8 C5 -1.8977 -0.3209 0.1819 C.2 1 noname 0.0166 9 C6 0.5562 2.2381 1.2730 C.2 1 noname 0.0679 10 C7 -0.7238 0.2851 0.6580 C.2 1 noname 0.0792 11 N2 1.5742 1.3961 1.5880 N.2 1 noname -0.2281 12 N3 0.6891 3.5862 1.4300 N.3 1 noname 0.0076 13 N4 0.3371 -0.4868 0.9891 N.2 1 noname -0.2384 14 C8 1.4851 0.0541 1.4531 C.2 1 noname 0.0719 15 C9 1.7821 4.2552 1.8821 C.2 1 noname -0.0315 16 C10 1.5661 5.3543 2.7361 C.2 1 noname -0.0581 17 C11 3.1031 3.9383 1.4951 C.2 1 noname -0.0581 18 C12 2.6501 6.1084 3.2202 C.2 1 noname -0.0630 19 C13 4.1881 4.6893 1.9802 C.2 1 noname -0.0630 20 C14 3.9620 5.7734 2.8442 C.2 1 noname -0.0830 21 H1 -1.7438 3.4871 0.5369 H 1 noname 0.0655 22 H2 -3.8528 0.0100 -0.5040 H 1 noname 0.0647 23 H3 -1.9468 -1.3358 0.0849 H 1 noname 0.0646 24 H4 -0.0938 4.1252 1.2391 H 1 noname 0.1357 25 H5 2.2751 -0.5428 1.6991 H 1 noname 0.1062 26 H6 0.6170 5.6084 3.0122 H 1 noname 0.0639 27 H7 3.2801 3.1633 0.8561 H 1 noname 0.0639 28 H8 2.4840 6.8995 3.8423 H 1 noname 0.0623 29 H9 5.1401 4.4494 1.7012 H 1 noname 0.0623 30 H10 4.7490 6.3195 3.1953 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 21 1 8 6 8 2 9 6 22 1 10 7 9 2 11 7 10 1 12 8 10 1 13 8 23 1 14 9 11 1 15 9 12 1 16 10 13 2 17 11 14 2 18 12 15 1 19 12 24 1 20 13 14 1 21 14 25 1 22 15 16 2 23 15 17 1 24 16 18 1 25 16 26 1 26 17 19 2 27 17 27 1 28 18 20 2 29 18 28 1 30 19 20 1 31 19 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1