@MOLECULE DB02911 32 34 1 SMALL USER_CHARGES @ATOM 1 N1 -1.9186 -0.3549 2.5275 N.2 1 noname -0.2919 2 C1 -2.1411 0.9413 2.9153 C.2 1 noname 0.0383 3 C2 -1.7637 -0.7041 1.2051 C.2 1 noname 0.0206 4 N2 -2.2300 1.9030 1.9468 N.2 1 noname -0.2926 5 N3 -2.2683 1.2580 4.2111 N.3 1 noname -0.0855 6 N4 -1.4481 -1.9842 0.7928 N.3 1 noname -0.1009 7 C3 -1.8987 0.2928 0.1992 C.2 1 noname -0.0342 8 C4 -2.1261 1.6255 0.6127 C.2 1 noname 0.0197 9 C5 -1.0557 -2.3633 -0.5461 C.3 1 noname 0.0214 10 N5 -1.8037 -0.0262 -1.1251 N.3 1 noname -0.1227 11 N6 -2.2385 2.6060 -0.2938 N.3 1 noname -0.1122 12 C6 -1.4084 -1.3110 -1.6438 C.3 1 noname 0.0496 13 C7 -2.4677 -1.8371 -2.4999 C.2 1 noname -0.0467 14 C8 -2.2446 -1.9981 -3.8623 C.2 1 noname -0.0519 15 C9 -3.6993 -2.1768 -1.9524 C.2 1 noname -0.0519 16 C10 -3.2531 -2.4990 -4.6773 C.2 1 noname -0.0591 17 C11 -4.7078 -2.6777 -2.7673 C.2 1 noname -0.0591 18 C12 -4.4847 -2.8388 -4.1298 C.2 1 noname -0.0613 19 H1 -1.4458 1.3774 4.7849 H 1 noname 0.1273 20 H2 -3.1868 1.3774 4.6140 H 1 noname 0.1273 21 H3 -1.5081 -2.6870 1.5156 H 1 noname 0.1297 22 H4 0.0314 -2.4267 -0.4984 H 1 noname 0.0452 23 H5 -1.6451 -3.2561 -0.7549 H 1 noname 0.0452 24 H6 -2.0383 0.7281 -1.7544 H 1 noname 0.1290 25 H7 -1.4119 3.0751 -0.6354 H 1 noname 0.1258 26 H8 -3.1498 2.8758 -0.6354 H 1 noname 0.1258 27 H9 -0.5321 -1.0775 -2.2486 H 1 noname 0.0532 28 H10 -1.2788 -1.7317 -4.2917 H 1 noname 0.0626 29 H11 -3.8743 -2.0505 -0.8839 H 1 noname 0.0626 30 H12 -3.0781 -2.6253 -5.7457 H 1 noname 0.0622 31 H13 -5.6736 -2.9441 -2.3380 H 1 noname 0.0622 32 H14 -5.2755 -3.2315 -4.7689 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 1 6 3 7 2 7 4 8 2 8 6 9 1 9 7 10 1 10 7 8 1 11 8 11 1 12 9 12 1 13 10 12 1 14 12 13 1 15 13 14 2 16 13 15 1 17 14 16 1 18 15 17 2 19 16 18 2 20 17 18 1 21 5 19 1 22 5 20 1 23 6 21 1 24 9 22 1 25 9 23 1 26 10 24 1 27 11 25 1 28 11 26 1 29 12 27 1 30 14 28 1 31 15 29 1 32 16 30 1 33 17 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1