@MOLECULE 71587574 24 23 1 SMALL USER_CHARGES @ATOM 1 N1 4.0573 -2.8209 0.0000 N.3 1 noname -0.3304 2 N2 -2.5273 2.8209 0.0000 N.3 1 noname -0.3304 3 C1 1.5300 0.0000 0.0000 C.3 1 noname -0.0520 4 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0520 5 C3 -0.5100 1.4425 0.0000 C.3 1 noname -0.0409 6 C4 2.0400 -1.4425 0.0000 C.3 1 noname -0.0409 7 C5 -2.0400 1.4425 0.0000 C.3 1 noname -0.0076 8 C6 3.5700 -1.4425 0.0000 C.3 1 noname -0.0076 9 H1 1.8933 0.5138 0.8900 H 1 noname 0.0267 10 H2 1.8933 0.5138 -0.8900 H 1 noname 0.0267 11 H3 -0.3633 -0.5138 -0.8900 H 1 noname 0.0267 12 H4 -0.3633 -0.5138 0.8900 H 1 noname 0.0267 13 H5 -0.1467 1.9563 -0.8900 H 1 noname 0.0279 14 H6 1.6767 -1.9563 -0.8900 H 1 noname 0.0279 15 H7 1.6767 -1.9563 0.8900 H 1 noname 0.0279 16 H8 -0.1467 1.9563 0.8900 H 1 noname 0.0279 17 H9 -2.4033 0.9287 -0.8900 H 1 noname 0.0425 18 H10 3.9333 -0.9287 -0.8900 H 1 noname 0.0425 19 H11 3.9333 -0.9287 0.8900 H 1 noname 0.0425 20 H12 -2.4033 0.9287 0.8900 H 1 noname 0.0425 21 H13 5.0793 -2.8209 0.0000 H 1 noname 0.1184 22 H14 3.7167 -3.3027 -0.8345 H 1 noname 0.1184 23 H15 -3.5493 2.8209 0.0000 H 1 noname 0.1184 24 H16 -2.1867 3.3027 -0.8345 H 1 noname 0.1184 @BOND 1 1 8 1 2 1 21 1 3 1 22 1 4 2 7 1 5 2 23 1 6 2 24 1 7 3 4 1 8 3 6 1 9 3 9 1 10 3 10 1 11 4 5 1 12 4 11 1 13 4 12 1 14 5 7 1 15 5 13 1 16 5 16 1 17 6 8 1 18 6 14 1 19 6 15 1 20 7 17 1 21 7 20 1 22 8 18 1 23 8 19 1 @SUBSTRUCTURE 1 noname 1