@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443948 30 33 1 SMALL USER_CHARGES @ATOM 1 O1 7.5395 -5.2821 2.0758 O.3 1 noname -0.3618 2 C1 8.2005 -4.3470 2.8039 C.2 1 noname 0.0593 3 C2 6.6754 -4.5880 1.2938 C.2 1 noname 0.0982 4 C3 9.2005 -4.4890 3.7750 C.2 1 noname 0.0951 5 C4 7.7644 -3.0619 2.4910 C.2 1 noname 0.1151 6 C5 6.7853 -3.2159 1.5239 C.2 1 noname 0.1034 7 C6 5.7483 -5.0540 0.3498 C.2 1 noname 0.0220 8 N1 9.6895 -3.3559 4.3531 N.2 1 noname -0.2068 9 N2 9.6375 -5.7290 4.1001 N.3 1 noname 0.0167 10 N3 8.2754 -1.9608 3.0890 N.2 1 noname -0.2097 11 N4 6.0183 -2.3178 0.8599 N.2 1 noname -0.2134 12 C7 4.9532 -4.1149 -0.3370 C.2 1 noname -0.0070 13 C8 9.2464 -2.1118 4.0261 C.2 1 noname 0.0652 14 C9 10.5845 -5.9739 5.0322 C.2 1 noname -0.0314 15 C10 5.1092 -2.7397 -0.0620 C.2 1 noname 0.0088 16 C11 11.9365 -6.0869 4.6542 C.2 1 noname -0.0575 17 C12 10.2204 -6.1459 6.3813 C.2 1 noname -0.0575 18 C13 12.9185 -6.3609 5.6222 C.2 1 noname -0.0629 19 C14 11.2035 -6.4199 7.3484 C.2 1 noname -0.0629 20 C15 12.5524 -6.5278 6.9694 C.2 1 noname -0.0824 21 H1 5.6512 -6.0520 0.1659 H 1 noname 0.0651 22 H2 9.2444 -6.4870 3.6391 H 1 noname 0.1358 23 H3 4.2711 -4.4268 -1.0280 H 1 noname 0.0639 24 H4 9.6424 -1.2917 4.4861 H 1 noname 0.1062 25 H5 4.5361 -2.0547 -0.5560 H 1 noname 0.0839 26 H6 12.2064 -5.9689 3.6772 H 1 noname 0.0639 27 H7 9.2413 -6.0709 6.6613 H 1 noname 0.0639 28 H8 13.8985 -6.4398 5.3463 H 1 noname 0.0623 29 H9 10.9374 -6.5419 8.3265 H 1 noname 0.0623 30 H10 13.2654 -6.7278 7.6704 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 2 10 5 6 1 11 6 11 1 12 7 12 2 13 7 21 1 14 8 13 2 15 9 14 1 16 9 22 1 17 10 13 1 18 11 15 2 19 12 15 1 20 12 23 1 21 13 24 1 22 14 16 2 23 14 17 1 24 15 25 1 25 16 18 1 26 16 26 1 27 17 19 2 28 17 27 1 29 18 20 2 30 18 28 1 31 19 20 1 32 19 29 1 33 20 30 1 @SUBSTRUCTURE 1 noname 1