@MOLECULE 91936849 30 29 1 SMALL USER_CHARGES @ATOM 1 N1 3.3894 -1.2716 -0.1907 N.3 1 noname -0.2612 2 N2 3.7996 -2.4171 0.4896 N.3 1 noname -0.2675 3 C1 -0.3413 -1.8910 0.0174 C.3 1 noname -0.0518 4 C2 1.0913 -1.7003 0.5196 C.3 1 noname -0.0367 5 C3 -1.2705 -2.1375 1.2076 C.3 1 noname -0.0532 6 C4 2.0204 -1.4538 -0.6706 C.3 1 noname 0.0183 7 C5 -2.7031 -2.3281 0.7054 C.3 1 noname -0.0535 8 C6 -3.6323 -2.5746 1.8957 C.3 1 noname -0.0561 9 C7 1.5702 -0.1965 -1.4173 C.3 1 noname -0.0484 10 C8 -5.0648 -2.7653 1.3934 C.3 1 noname -0.0654 11 H1 -0.3792 -2.7469 -0.6565 H 1 noname 0.0267 12 H2 -0.6621 -0.9953 -0.5146 H 1 noname 0.0267 13 H3 1.4120 -2.5960 1.0516 H 1 noname 0.0283 14 H4 1.1291 -0.8444 1.1935 H 1 noname 0.0283 15 H5 -0.9497 -3.0332 1.7396 H 1 noname 0.0266 16 H6 -1.2326 -1.2816 1.8815 H 1 noname 0.0266 17 H7 1.9826 -2.3097 -1.3445 H 1 noname 0.0476 18 H8 -2.7410 -3.1840 0.0315 H 1 noname 0.0266 19 H9 -3.0238 -1.4324 0.1735 H 1 noname 0.0266 20 H10 -3.3115 -3.4703 2.4276 H 1 noname 0.0264 21 H11 -3.5944 -1.7187 2.5695 H 1 noname 0.0264 22 H12 0.5496 -0.3324 -1.7751 H 1 noname 0.0247 23 H13 2.2322 -0.0209 -2.2653 H 1 noname 0.0247 24 H14 1.6081 0.6594 -0.7434 H 1 noname 0.0247 25 H15 4.0100 -1.1070 -0.9858 H 1 noname 0.1412 26 H16 -5.7268 -2.9409 2.2414 H 1 noname 0.0230 27 H17 -5.3856 -1.8696 0.8615 H 1 noname 0.0230 28 H18 -5.1027 -3.6212 0.7195 H 1 noname 0.0230 29 H19 4.7565 -2.2898 0.8251 H 1 noname 0.1373 30 H20 3.1789 -2.5818 1.2847 H 1 noname 0.1373 @BOND 1 1 2 1 2 6 1 1 3 1 25 1 4 2 29 1 5 2 30 1 6 3 4 1 7 3 5 1 8 3 11 1 9 3 12 1 10 4 6 1 11 4 13 1 12 4 14 1 13 5 7 1 14 5 15 1 15 5 16 1 16 6 9 1 17 6 17 1 18 7 8 1 19 7 18 1 20 7 19 1 21 8 10 1 22 8 20 1 23 8 21 1 24 9 22 1 25 9 23 1 26 9 24 1 27 10 26 1 28 10 27 1 29 10 28 1 @SUBSTRUCTURE 1 noname 1