@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3516 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -4.0092 0.0870 -1.0448 O.3 1 noname -0.2743 2 C1 -2.8582 0.5901 -0.5097 C.2 1 noname 0.0263 3 C2 -4.1592 -1.2929 -1.3887 C.3 1 noname 0.0423 4 C3 -1.7092 -0.1838 -0.2496 C.2 1 noname 0.0261 5 C4 -2.8412 1.9641 -0.2097 C.2 1 noname -0.0146 6 C5 -0.5592 0.4091 0.3013 C.2 1 noname 0.0542 7 C6 -1.6972 2.5652 0.3413 C.2 1 noname -0.0078 8 N1 0.5327 -0.3537 0.5424 N.2 1 noname -0.2501 9 C7 -0.5442 1.7952 0.6004 C.2 1 noname -0.0141 10 C8 1.6586 0.1722 1.0724 C.2 1 noname 0.0484 11 C9 0.6447 2.3253 1.1494 C.2 1 noname 0.0439 12 N2 1.6956 1.4923 1.3655 N.2 1 noname -0.2405 13 N3 0.7216 3.6474 1.4685 N.3 1 noname 0.0048 14 C10 1.7896 4.2974 2.0015 C.2 1 noname -0.0315 15 C11 1.5426 5.2415 3.0176 C.2 1 noname -0.0581 16 C12 3.1126 4.1105 1.5456 C.2 1 noname -0.0581 17 C13 2.6015 5.9685 3.5897 C.2 1 noname -0.0630 18 C14 4.1726 4.8365 2.1176 C.2 1 noname -0.0630 19 C15 3.9165 5.7645 3.1407 C.2 1 noname -0.0830 20 H1 -5.1573 -1.4459 -1.7997 H 1 noname 0.0535 21 H2 -3.4213 -1.5788 -2.1407 H 1 noname 0.0535 22 H3 -4.0423 -1.9189 -0.5027 H 1 noname 0.0535 23 H4 -1.7052 -1.1818 -0.4596 H 1 noname 0.0673 24 H5 -3.6693 2.5322 -0.3936 H 1 noname 0.0650 25 H6 -1.7153 3.5642 0.5473 H 1 noname 0.0631 26 H7 2.4716 -0.4186 1.2485 H 1 noname 0.1062 27 H8 -0.0814 4.1744 1.3425 H 1 noname 0.1357 28 H9 0.5895 5.4005 3.3467 H 1 noname 0.0639 29 H10 3.3076 3.4505 0.7926 H 1 noname 0.0639 30 H11 2.4135 6.6466 4.3287 H 1 noname 0.0623 31 H12 5.1266 4.6926 1.7857 H 1 noname 0.0623 32 H13 4.6855 6.2926 3.5548 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 20 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 5 7 2 11 5 24 1 12 6 8 2 13 6 9 1 14 7 9 1 15 7 25 1 16 8 10 1 17 9 11 2 18 10 12 2 19 10 26 1 20 11 13 1 21 11 12 1 22 13 14 1 23 13 27 1 24 14 15 2 25 14 16 1 26 15 17 1 27 15 28 1 28 16 18 2 29 16 29 1 30 17 19 2 31 17 30 1 32 18 19 1 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1