@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3761 37 40 1 SMALL USER_CHARGES @ATOM 1 S1 -0.4470 2.5052 -0.5364 S.3 1 noname -0.1897 2 C1 -0.1141 0.9603 0.1765 C.2 1 noname 0.0277 3 C2 -2.1301 2.0983 -0.4444 C.2 1 noname 0.0358 4 C3 1.1468 0.4323 0.4816 C.2 1 noname 0.0770 5 C4 -1.2351 0.1843 0.4666 C.2 1 noname 0.0657 6 C5 -2.4042 0.8403 0.1076 C.2 1 noname 0.0264 7 C6 -3.1802 2.9264 -0.8744 C.2 1 noname -0.0192 8 N1 1.2188 -0.8046 1.0397 N.2 1 noname -0.2204 9 N2 2.2538 1.1554 0.2056 N.3 1 noname -0.0910 10 N3 -1.1152 -1.0435 1.0256 N.2 1 noname -0.2321 11 C7 -3.7272 0.3823 0.2416 C.2 1 noname -0.0269 12 C8 -4.5092 2.4774 -0.7443 C.2 1 noname -0.0499 13 C9 0.1127 -1.5415 1.3147 C.2 1 noname 0.0649 14 C10 3.5837 0.7194 0.4757 C.3 1 noname 0.0352 15 C11 -4.7813 1.2104 -0.1892 C.2 1 noname -0.0524 16 C12 4.5397 1.6254 -0.2032 C.2 1 noname -0.0474 17 C13 3.8587 0.6724 1.9938 C.3 1 noname -0.0452 18 C14 5.4407 1.1205 -1.1652 C.2 1 noname -0.0523 19 C15 4.5657 3.0045 0.0948 C.2 1 noname -0.0523 20 C16 6.3486 1.9746 -1.8131 C.2 1 noname -0.0592 21 C17 5.4726 3.8606 -0.5521 C.2 1 noname -0.0592 22 C18 6.3646 3.3456 -1.5071 C.2 1 noname -0.0613 23 H1 -2.9822 3.8424 -1.2763 H 1 noname 0.0637 24 H2 2.1358 2.0164 -0.2252 H 1 noname 0.1303 25 H3 -3.9243 -0.5355 0.6437 H 1 noname 0.0630 26 H4 -5.2783 3.0724 -1.0543 H 1 noname 0.0623 27 H5 0.2046 -2.4665 1.7348 H 1 noname 0.1062 28 H6 3.7027 -0.2945 0.0847 H 1 noname 0.0517 29 H7 -5.7464 0.8925 -0.0992 H 1 noname 0.0622 30 H8 4.9017 0.4085 2.1748 H 1 noname 0.0250 31 H9 3.6486 1.6415 2.4489 H 1 noname 0.0250 32 H10 3.2256 -0.0804 2.4619 H 1 noname 0.0250 33 H11 5.4366 0.1255 -1.3951 H 1 noname 0.0626 34 H12 3.9196 3.3885 0.7858 H 1 noname 0.0626 35 H13 6.9976 1.5996 -2.5051 H 1 noname 0.0622 36 H14 5.4826 4.8567 -0.3290 H 1 noname 0.0622 37 H15 7.0235 3.9667 -1.9770 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 23 1 14 8 13 2 15 9 14 1 16 9 24 1 17 10 13 1 18 11 15 2 19 11 25 1 20 12 15 1 21 12 26 1 22 13 27 1 23 14 16 1 24 14 17 1 25 14 28 1 26 15 29 1 27 16 18 2 28 16 19 1 29 17 30 1 30 17 31 1 31 17 32 1 32 18 20 1 33 18 33 1 34 19 21 2 35 19 34 1 36 20 22 2 37 20 35 1 38 21 22 1 39 21 36 1 40 22 37 1 @SUBSTRUCTURE 1 noname 1