@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3940 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -2.3472 -1.3904 0.1737 O.3 1 noname -0.2540 2 C1 -1.8822 -0.1204 0.3827 C.2 1 noname 0.0776 3 C2 -1.4843 -2.5024 -0.0742 C.3 1 noname 0.0425 4 C3 -2.8403 0.8845 0.6358 C.2 1 noname 0.0495 5 C4 -0.5243 0.2625 0.3708 C.2 1 noname 0.0411 6 O2 -4.1543 0.5686 0.6558 O.3 1 noname -0.2729 7 C5 -2.4503 2.2176 0.8758 C.2 1 noname -0.0021 8 N1 0.5736 -0.4803 0.1768 N.2 1 noname -0.2334 9 C6 -0.1283 1.5826 0.5918 C.2 1 noname -0.0481 10 C7 -1.0894 2.5756 0.8608 C.2 1 noname -0.0271 11 C8 1.6165 0.3616 0.2769 C.2 1 noname -0.0478 12 N2 1.2195 1.6316 0.5219 N.3 1 noname -0.0263 13 C9 2.0535 2.7117 0.6599 C.2 1 noname -0.0236 14 C10 3.2684 2.5957 1.3739 C.2 1 noname -0.0550 15 C11 1.7394 3.9607 0.0779 C.2 1 noname -0.0550 16 C12 4.1314 3.6947 1.5180 C.2 1 noname -0.0619 17 C13 2.5994 5.0637 0.2220 C.2 1 noname -0.0619 18 C14 3.7953 4.9308 0.9440 C.2 1 noname -0.0853 19 H1 -2.0933 -3.3974 -0.2031 H 1 noname 0.0535 20 H2 -0.9043 -2.3374 -0.9831 H 1 noname 0.0535 21 H3 -0.8113 -2.6544 0.7708 H 1 noname 0.0535 22 H4 -4.3374 -0.3783 0.4789 H 1 noname 0.2183 23 H5 -3.1584 2.9266 1.0648 H 1 noname 0.0651 24 H6 -0.8144 3.5386 1.0499 H 1 noname 0.0644 25 H7 2.5885 0.0677 0.1659 H 1 noname 0.1019 26 H8 3.5254 1.7058 1.8040 H 1 noname 0.0642 27 H9 0.8844 4.0717 -0.4669 H 1 noname 0.0642 28 H10 5.0023 3.5947 2.0420 H 1 noname 0.0623 29 H11 2.3553 5.9588 -0.2029 H 1 noname 0.0623 30 H12 4.4203 5.7308 1.0491 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 19 1 6 3 20 1 7 3 21 1 8 4 6 1 9 4 7 1 10 5 8 1 11 5 9 2 12 6 22 1 13 7 10 2 14 7 23 1 15 8 11 2 16 9 12 1 17 9 10 1 18 10 24 1 19 11 12 1 20 11 25 1 21 12 13 1 22 13 14 2 23 13 15 1 24 14 16 1 25 14 26 1 26 15 17 2 27 15 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1