@MOLECULE l-beta-homovaline 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1009 0.4289 -1.2601 O.2 1 UNL1111111111 -0.5152 2 C 1.9051 0.2218 -0.0919 C.2 1 UNL1111111111 0.6709 3 C 0.6299 0.3159 0.6827 C.3 1 UNL1111111111 -0.3678 4 C -0.5234 -0.3007 -0.1443 C.3 1 UNL1111111111 0.0645 5 N -0.3657 -1.7650 -0.0743 N.3 1 UNL1111111111 -0.6565 6 C -1.8959 0.2136 0.3842 C.3 1 UNL1111111111 -0.1248 7 C -2.0699 1.6956 0.0367 C.3 1 UNL1111111111 -0.4504 8 C -3.0460 -0.5863 -0.2367 C.3 1 UNL1111111111 -0.4550 9 O 2.9373 -0.0926 0.7380 O.3 1 UNL1111111111 -0.5673 10 H 0.7264 -0.1977 1.6639 H 1 UNL1111111111 0.1859 11 H 0.4285 1.3822 0.9157 H 1 UNL1111111111 0.1770 12 H -0.4101 0.0028 -1.2209 H 1 UNL1111111111 0.1633 13 H -0.6099 -2.1404 0.8257 H 1 UNL1111111111 0.2506 14 H -0.8896 -2.2423 -0.7880 H 1 UNL1111111111 0.2571 15 H -1.9270 0.0894 1.4919 H 1 UNL1111111111 0.1344 16 H -3.0410 2.0718 0.3784 H 1 UNL1111111111 0.1474 17 H -1.3025 2.3231 0.5016 H 1 UNL1111111111 0.1431 18 H -2.0195 1.8639 -1.0460 H 1 UNL1111111111 0.1524 19 H -2.9995 -0.5770 -1.3317 H 1 UNL1111111111 0.1502 20 H -3.0505 -1.6294 0.0935 H 1 UNL1111111111 0.1388 21 H -4.0169 -0.1616 0.0469 H 1 UNL1111111111 0.1496 22 H 3.8028 -0.1851 0.2729 H 1 UNL1111111111 0.3519 @BOND 1 2 1 2 2 2 9 1 3 3 4 1 4 3 2 1 5 3 10 1 6 3 11 1 7 4 12 1 8 5 4 1 9 5 13 1 10 5 14 1 11 6 7 1 12 6 4 1 13 6 15 1 14 7 16 1 15 7 17 1 16 7 18 1 17 8 6 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 22 1