@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3331 32 34 1 SMALL USER_CHARGES @ATOM 1 N1 -4.9621 6.7073 1.5651 N.2 1 noname -0.2264 2 C1 -4.4711 5.4633 1.7911 C.2 1 noname 0.0552 3 C2 -5.9852 6.9374 0.7090 C.2 1 noname 0.0578 4 N2 -3.4470 5.2993 2.6612 N.3 1 noname -0.0981 5 C3 -5.0382 4.3642 1.1151 C.2 1 noname -0.0044 6 N3 -6.5443 5.8973 0.0500 N.2 1 noname -0.2432 7 C4 -2.8461 6.3784 3.3643 C.3 1 noname 0.0265 8 C5 -6.1063 4.6283 0.2261 C.2 1 noname 0.0234 9 C6 -4.6112 3.0312 1.2692 C.2 1 noname 0.0246 10 C7 -1.7780 5.8764 4.2494 C.2 1 noname -0.0486 11 C8 -6.7193 3.5793 -0.4798 C.2 1 noname 0.0083 12 N4 -5.2252 2.0432 0.5722 N.2 1 noname -0.2578 13 C9 -0.4360 6.2625 4.0534 C.2 1 noname -0.0531 14 C10 -2.0931 5.0034 5.3115 C.2 1 noname -0.0531 15 C11 -6.2513 2.2712 -0.2847 C.2 1 noname 0.0377 16 C12 0.5749 5.7805 4.9025 C.2 1 noname -0.0594 17 C13 -1.0831 4.5204 6.1606 C.2 1 noname -0.0594 18 N5 -6.8054 1.2402 -0.9348 N.3 1 noname -0.1172 19 C14 0.2518 4.9095 5.9566 C.2 1 noname -0.0613 20 H1 -6.3303 7.8864 0.5631 H 1 noname 0.1062 21 H2 -3.1061 4.4043 2.8143 H 1 noname 0.1300 22 H3 -3.5981 6.8885 3.9694 H 1 noname 0.0482 23 H4 -2.4411 7.0905 2.6423 H 1 noname 0.0482 24 H5 -3.8442 2.7952 1.8992 H 1 noname 0.0848 25 H6 -7.4904 3.7673 -1.1218 H 1 noname 0.0679 26 H7 -0.1930 6.8956 3.2904 H 1 noname 0.0626 27 H8 -3.0612 4.7174 5.4666 H 1 noname 0.0626 28 H9 1.5440 6.0645 4.7536 H 1 noname 0.0622 29 H10 -1.3181 3.8884 6.9267 H 1 noname 0.0622 30 H11 -6.4694 0.3432 -0.7877 H 1 noname 0.1257 31 H12 -7.5405 1.3893 -1.5497 H 1 noname 0.1257 32 H13 0.9859 4.5605 6.5727 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 20 1 7 4 7 1 8 4 21 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 1 13 7 22 1 14 7 23 1 15 8 11 2 16 9 12 1 17 9 24 1 18 10 13 2 19 10 14 1 20 11 15 1 21 11 25 1 22 12 15 2 23 13 16 1 24 13 26 1 25 14 17 2 26 14 27 1 27 15 18 1 28 16 19 2 29 16 28 1 30 17 19 1 31 17 29 1 32 18 30 1 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1