@MOLECULE methyl l-alloisoleucinate 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5846 1.0615 0.1620 O.3 1 UNL1111111111 -0.4104 2 O -2.0498 -1.1387 0.1044 O.2 1 UNL1111111111 -0.5167 3 N 0.5574 -1.8011 0.8765 N.3 1 UNL1111111111 -0.6173 4 C 1.0703 0.1924 -0.5642 C.3 1 UNL1111111111 -0.0884 5 C 0.2268 -0.3991 0.5969 C.3 1 UNL1111111111 -0.0262 6 C 2.5595 0.2263 -0.1773 C.3 1 UNL1111111111 -0.2586 7 C 0.8775 -0.5925 -1.8646 C.3 1 UNL1111111111 -0.4624 8 C 2.8750 1.3832 0.7702 C.3 1 UNL1111111111 -0.4380 9 C -1.2552 -0.2474 0.2552 C.2 1 UNL1111111111 0.5355 10 C -2.9396 1.3517 -0.1685 C.3 1 UNL1111111111 -0.1695 11 H 0.7183 1.2435 -0.7294 H 1 UNL1111111111 0.1507 12 H 0.4391 0.1933 1.5316 H 1 UNL1111111111 0.1756 13 H 2.8454 -0.7377 0.2930 H 1 UNL1111111111 0.1625 14 H 3.1790 0.3131 -1.0900 H 1 UNL1111111111 0.1359 15 H -0.1831 -0.7283 -2.1066 H 1 UNL1111111111 0.1496 16 H 1.3395 -1.5855 -1.8172 H 1 UNL1111111111 0.1520 17 H 1.3370 -0.0656 -2.7098 H 1 UNL1111111111 0.1513 18 H 2.3419 1.2820 1.7225 H 1 UNL1111111111 0.1436 19 H 3.9453 1.4186 1.0029 H 1 UNL1111111111 0.1404 20 H 2.6009 2.3503 0.3349 H 1 UNL1111111111 0.1402 21 H 0.5070 -2.3756 0.0478 H 1 UNL1111111111 0.2594 22 H -0.0546 -2.1988 1.5758 H 1 UNL1111111111 0.2609 23 H -3.1742 0.9613 -1.1642 H 1 UNL1111111111 0.1397 24 H -2.9677 2.4474 -0.1500 H 1 UNL1111111111 0.1477 25 H -3.6145 0.9204 0.5785 H 1 UNL1111111111 0.1426 @BOND 1 1 9 1 2 1 10 1 3 2 9 2 4 3 5 1 5 3 21 1 6 3 22 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 11 1 11 5 9 1 12 5 12 1 13 6 8 1 14 6 13 1 15 6 14 1 16 7 15 1 17 7 16 1 18 7 17 1 19 8 18 1 20 8 19 1 21 8 20 1 22 10 23 1 23 10 24 1 24 10 25 1