@MOLECULE DB06714 32 32 1 SMALL USER_CHARGES @ATOM 1 N1 -2.6607 -2.1847 1.1053 N.3 1 noname -0.3172 2 C1 -1.3587 -1.6209 0.7527 C.3 1 noname 0.0039 3 C2 -2.5056 -3.1008 2.2340 C.3 1 noname -0.0161 4 C3 -0.7905 -0.8603 1.9525 C.3 1 noname -0.0352 5 C4 -1.5210 -0.6622 -0.4286 C.3 1 noname -0.0498 6 C5 0.5721 -0.2703 1.5836 C.3 1 noname -0.0399 7 C6 1.5526 -1.4277 1.1864 C.3 1 noname -0.0504 8 C7 1.0351 0.7207 2.7090 C.3 1 noname -0.0504 9 C8 3.0493 -1.1646 1.5306 C.3 1 noname -0.0530 10 C9 2.1369 0.1594 3.6603 C.3 1 noname -0.0530 11 C10 3.3217 -0.5804 2.9570 C.3 1 noname -0.0533 12 H1 -3.5325 -1.9739 0.6409 H 1 noname 0.1221 13 H2 -0.7112 -2.4558 0.4846 H 1 noname 0.0461 14 H3 -2.5547 -4.1294 1.8766 H 1 noname 0.0391 15 H4 -1.5415 -2.9281 2.7124 H 1 noname 0.0391 16 H5 -3.3049 -2.9281 2.9547 H 1 noname 0.0391 17 H6 -1.4583 -0.0188 2.1366 H 1 noname 0.0285 18 H7 -0.6127 -1.5966 2.7364 H 1 noname 0.0285 19 H8 -1.6472 -1.2354 -1.3470 H 1 noname 0.0246 20 H9 -2.3974 -0.0341 -0.2689 H 1 noname 0.0246 21 H10 -0.6340 -0.0341 -0.5113 H 1 noname 0.0246 22 H11 0.5060 0.3472 0.6878 H 1 noname 0.0303 23 H12 1.2604 -2.2843 1.7938 H 1 noname 0.0269 24 H13 1.5106 -1.4909 0.0991 H 1 noname 0.0269 25 H14 1.4972 1.5614 2.1914 H 1 noname 0.0269 26 H15 0.1605 0.8826 3.3390 H 1 noname 0.0269 27 H16 3.5247 -2.1455 1.5208 H 1 noname 0.0266 28 H17 3.3752 -0.3940 0.8320 H 1 noname 0.0266 29 H18 2.5808 1.0333 4.1371 H 1 noname 0.0266 30 H19 1.6388 -0.5977 4.2659 H 1 noname 0.0266 31 H20 3.5287 -1.4469 3.5851 H 1 noname 0.0266 32 H21 4.0867 0.1823 2.8112 H 1 noname 0.0266 @BOND 1 2 1 1 2 1 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 11 1 12 1 12 1 13 2 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 6 22 1 23 7 23 1 24 7 24 1 25 8 25 1 26 8 26 1 27 9 27 1 28 9 28 1 29 10 29 1 30 10 30 1 31 11 31 1 32 11 32 1 @SUBSTRUCTURE 1 noname 1