@MOLECULE 73425478 25 24 1 SMALL USER_CHARGES @ATOM 1 N1 3.5020 -1.4425 0.0000 N.3 1 noname -0.3279 2 C1 1.5300 0.0000 0.0000 C.3 1 noname -0.0382 3 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0518 4 C3 2.0400 -1.4425 0.0000 C.3 1 noname 0.0011 5 C4 -0.5100 1.4425 0.0000 C.3 1 noname -0.0535 6 C5 -2.0400 1.4425 0.0000 C.3 1 noname -0.0561 7 C6 1.5300 -2.1637 -1.2492 C.3 1 noname -0.0500 8 C7 -2.5500 2.8850 0.0000 C.3 1 noname -0.0654 9 H1 1.8933 0.5138 -0.8900 H 1 noname 0.0282 10 H2 1.8933 0.5138 0.8900 H 1 noname 0.0282 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 1.6767 -1.9563 0.8900 H 1 noname 0.0459 14 H6 -0.1467 1.9563 -0.8900 H 1 noname 0.0266 15 H7 -0.1467 1.9563 0.8900 H 1 noname 0.0266 16 H8 -2.4033 0.9287 -0.8900 H 1 noname 0.0264 17 H9 -2.4033 0.9287 0.8900 H 1 noname 0.0264 18 H10 0.4400 -2.1637 -1.2492 H 1 noname 0.0246 19 H11 1.8933 -3.1914 -1.2492 H 1 noname 0.0246 20 H12 1.8933 -1.6499 -2.1392 H 1 noname 0.0246 21 H13 3.8427 -2.4060 0.0000 H 1 noname 0.1186 22 H14 3.8427 -0.9607 -0.8345 H 1 noname 0.1186 23 H15 -3.6400 2.8850 0.0000 H 1 noname 0.0230 24 H16 -2.1867 3.3988 -0.8900 H 1 noname 0.0230 25 H17 -2.1867 3.3988 0.8900 H 1 noname 0.0230 @BOND 1 4 1 1 2 1 21 1 3 1 22 1 4 2 3 1 5 2 4 1 6 2 9 1 7 2 10 1 8 3 5 1 9 3 11 1 10 3 12 1 11 4 7 1 12 4 13 1 13 5 6 1 14 5 14 1 15 5 15 1 16 6 8 1 17 6 16 1 18 6 17 1 19 7 18 1 20 7 19 1 21 7 20 1 22 8 23 1 23 8 24 1 24 8 25 1 @SUBSTRUCTURE 1 noname 1