@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3963 32 33 1 SMALL USER_CHARGES @ATOM 1 S1 -5.6390 0.7148 -4.2944 S.2 1 noname -0.1161 2 C1 -5.4530 0.8729 -2.5803 C.2 1 noname 0.0703 3 N1 -5.2461 -0.1750 -1.7513 N.3 1 noname -0.1685 4 C2 -5.4501 2.1709 -1.8762 C.3 1 noname 0.0320 5 C3 -5.0691 0.2950 -0.5062 C.2 1 noname -0.0153 6 C4 -5.1961 -1.5459 -2.1312 C.3 1 noname -0.0029 7 C5 -5.1661 1.6860 -0.5221 C.2 1 noname -0.0280 8 C6 -6.7981 2.9240 -1.9432 C.3 1 noname -0.0310 9 C7 -4.8061 -0.3969 0.6888 C.2 1 noname -0.0366 10 C8 -4.9962 2.4320 0.6568 C.2 1 noname -0.0474 11 C9 -7.0582 3.5351 -3.3331 C.3 1 noname 0.0346 12 C10 -4.6412 0.3421 1.8768 C.2 1 noname -0.0543 13 C11 -4.7342 1.7491 1.8599 C.2 1 noname -0.0625 14 C12 -8.2422 4.3481 -3.3131 C.2 1 noname 0.1390 15 O1 -8.1563 5.5422 -3.5560 O.2 1 noname -0.2545 16 O2 -9.4083 3.7752 -3.0211 O.3 1 noname -0.2096 17 C13 -10.5874 4.5772 -2.9470 C.3 1 noname 0.0453 18 H1 -4.6351 2.8000 -2.2342 H 1 noname 0.0422 19 H2 -5.3632 -1.6659 -3.2032 H 1 noname 0.0402 20 H3 -4.2181 -1.9609 -1.8832 H 1 noname 0.0402 21 H4 -5.9662 -2.1029 -1.5952 H 1 noname 0.0402 22 H5 -7.6182 2.2490 -1.6861 H 1 noname 0.0282 23 H6 -6.7802 3.7391 -1.2161 H 1 noname 0.0282 24 H7 -4.7342 -1.4148 0.6968 H 1 noname 0.0639 25 H8 -5.0652 3.4501 0.6418 H 1 noname 0.0626 26 H9 -6.2002 4.1421 -3.6251 H 1 noname 0.0372 27 H10 -7.1992 2.7431 -4.0671 H 1 noname 0.0372 28 H11 -4.4503 -0.1437 2.7539 H 1 noname 0.0623 29 H12 -4.6123 2.2761 2.7260 H 1 noname 0.0622 30 H13 -11.4364 3.9412 -2.6989 H 1 noname 0.0536 31 H14 -10.4724 5.3383 -2.1739 H 1 noname 0.0536 32 H15 -10.7714 5.0603 -3.9080 H 1 noname 0.0536 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 4 18 1 9 5 9 1 10 5 7 2 11 6 19 1 12 6 20 1 13 6 21 1 14 7 10 1 15 8 11 1 16 8 22 1 17 8 23 1 18 9 12 2 19 9 24 1 20 10 13 2 21 10 25 1 22 11 14 1 23 11 26 1 24 11 27 1 25 12 13 1 26 12 28 1 27 13 29 1 28 14 15 2 29 14 16 1 30 16 17 1 31 17 30 1 32 17 31 1 33 17 32 1 @SUBSTRUCTURE 1 noname 1