@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441550 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 10.0938 -8.6728 0.1764 O.2 1 noname -0.2810 2 C1 8.9518 -8.2068 0.3875 C.2 1 noname 0.0635 3 N1 8.8377 -6.8958 0.7425 N.3 1 noname 0.0141 4 C2 7.7908 -9.0077 0.2655 C.2 1 noname 0.0622 5 C3 7.6337 -6.3068 0.9895 C.2 1 noname -0.0814 6 N2 7.8758 -10.3146 -0.0853 N.2 1 noname -0.2188 7 C4 6.5278 -8.4197 0.5186 C.2 1 noname 0.0479 8 C5 6.4528 -7.0507 0.8845 C.2 1 noname -0.0120 9 C6 6.7758 -11.0895 -0.2053 C.2 1 noname 0.0555 10 C7 5.3959 -9.2506 0.3856 C.2 1 noname 0.0580 11 N3 5.5588 -10.5505 0.0317 N.2 1 noname -0.2204 12 N4 4.1479 -8.7746 0.6137 N.3 1 noname -0.0987 13 C8 2.9629 -9.5525 0.4857 C.3 1 noname 0.0363 14 C9 1.7839 -8.7655 1.0847 C.3 1 noname 0.0624 15 C10 2.6549 -9.8694 -0.9901 C.3 1 noname -0.0329 16 O2 0.5699 -9.4935 0.9108 O.3 1 noname -0.3796 17 C11 1.3179 -10.6174 -1.0990 C.3 1 noname -0.0280 18 C12 0.2039 -9.7974 -0.4340 C.3 1 noname 0.0468 19 H1 9.6456 -6.3648 0.8195 H 1 noname 0.1368 20 H2 7.5947 -5.3218 1.2515 H 1 noname 0.0754 21 H3 5.5548 -6.6027 1.0706 H 1 noname 0.0641 22 H4 6.8617 -12.0714 -0.4702 H 1 noname 0.1062 23 H5 4.0559 -7.8536 0.8997 H 1 noname 0.1300 24 H6 3.0699 -10.4844 1.0447 H 1 noname 0.0492 25 H7 1.6979 -7.7945 0.5928 H 1 noname 0.0582 26 H8 1.9549 -8.6105 2.1507 H 1 noname 0.0582 27 H9 2.5948 -8.9394 -1.5580 H 1 noname 0.0284 28 H10 3.4428 -10.4924 -1.4120 H 1 noname 0.0284 29 H11 1.4019 -11.5813 -0.5970 H 1 noname 0.0290 30 H12 1.0749 -10.7804 -2.1489 H 1 noname 0.0290 31 H13 0.0469 -8.8714 -0.9899 H 1 noname 0.0566 32 H14 -0.7210 -10.3743 -0.4350 H 1 noname 0.0566 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 20 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 21 1 14 9 11 2 15 9 22 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 23 1 20 13 14 1 21 13 15 1 22 13 24 1 23 14 16 1 24 14 25 1 25 14 26 1 26 15 17 1 27 15 27 1 28 15 28 1 29 16 18 1 30 17 18 1 31 17 29 1 32 17 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1