@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3256 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 0.3496 0.0000 -0.4370 N.2 1 noname -0.2421 2 C1 -0.6104 0.8180 0.0629 C.2 1 noname 0.0426 3 C2 0.3165 -1.3409 -0.2700 C.2 1 noname 0.0481 4 N2 -0.5134 2.1530 -0.1379 N.3 1 noname -0.1007 5 C3 -1.6894 0.2641 0.7840 C.2 1 noname -0.0151 6 N3 -0.7054 -1.8979 0.4180 N.2 1 noname -0.2516 7 C4 0.5525 2.7551 -0.8599 C.3 1 noname 0.0265 8 C5 -1.6995 -1.1438 0.9440 C.2 1 noname 0.0510 9 C6 -2.7365 1.0321 1.3390 C.2 1 noname -0.0219 10 C7 0.3944 4.2202 -0.8669 C.2 1 noname -0.0486 11 C8 -2.7436 -1.7658 1.6521 C.2 1 noname -0.0088 12 C9 -3.7765 0.4022 2.0440 C.2 1 noname -0.0525 13 C10 0.1714 4.9172 -2.0729 C.2 1 noname -0.0531 14 C11 0.4694 4.9442 0.3411 C.2 1 noname -0.0531 15 C12 -3.7806 -0.9937 2.2011 C.2 1 noname -0.0370 16 C13 0.0193 6.3142 -2.0698 C.2 1 noname -0.0594 17 C14 0.3183 6.3412 0.3451 C.2 1 noname -0.0594 18 C15 0.0933 7.0273 -0.8608 C.2 1 noname -0.0613 19 H1 1.0565 -1.9269 -0.6590 H 1 noname 0.1062 20 H2 -1.2034 2.7271 0.2270 H 1 noname 0.1300 21 H3 0.5544 2.3642 -1.8799 H 1 noname 0.0482 22 H4 1.5065 2.5021 -0.3909 H 1 noname 0.0482 23 H5 -2.7495 2.0472 1.2350 H 1 noname 0.0630 24 H6 -2.7506 -2.7807 1.7682 H 1 noname 0.0645 25 H7 -4.5316 0.9612 2.4430 H 1 noname 0.0622 26 H8 0.1153 4.4072 -2.9548 H 1 noname 0.0626 27 H9 0.6333 4.4522 1.2201 H 1 noname 0.0626 28 H10 -4.5376 -1.4467 2.7132 H 1 noname 0.0623 29 H11 -0.1446 6.8113 -2.9458 H 1 noname 0.0622 30 H12 0.3733 6.8583 1.2231 H 1 noname 0.0622 31 H13 -0.0177 8.0413 -0.8587 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 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 1 13 7 21 1 14 7 22 1 15 8 11 2 16 9 12 1 17 9 23 1 18 10 13 2 19 10 14 1 20 11 15 1 21 11 24 1 22 12 15 2 23 12 25 1 24 13 16 1 25 13 26 1 26 14 17 2 27 14 27 1 28 15 28 1 29 16 18 2 30 16 29 1 31 17 18 1 32 17 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1