@MOLECULE (1s,8r,z)-8-amino-cyclooct-4-enecarboxylic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9578 0.7978 -0.2061 O.3 1 UNL1111111111 -0.5647 2 O -1.8728 -0.0821 1.5243 O.2 1 UNL1111111111 -0.5263 3 N -1.0201 -1.6319 -1.5354 N.3 1 UNL1111111111 -0.6848 4 C -0.6407 0.5367 -0.5070 C.3 1 UNL1111111111 -0.1965 5 C 0.0148 -0.8344 -0.8262 C.3 1 UNL1111111111 0.0734 6 C 0.2947 1.5537 0.1639 C.3 1 UNL1111111111 -0.2712 7 C 0.4798 -1.6397 0.4012 C.3 1 UNL1111111111 -0.2875 8 C 1.6270 1.7387 -0.5676 C.3 1 UNL1111111111 -0.2627 9 C 1.5832 -0.9506 1.2155 C.3 1 UNL1111111111 -0.2723 10 C -1.8280 0.3403 0.3988 C.2 1 UNL1111111111 0.6680 11 C 2.6869 0.7027 -0.3681 C.2 1 UNL1111111111 -0.1769 12 C 2.6838 -0.4180 0.3606 C.2 1 UNL1111111111 -0.1540 13 H -0.9946 0.9710 -1.4823 H 1 UNL1111111111 0.1727 14 H 0.9013 -0.6398 -1.4874 H 1 UNL1111111111 0.1286 15 H 0.4777 1.2761 1.2238 H 1 UNL1111111111 0.1660 16 H -0.2275 2.5329 0.2121 H 1 UNL1111111111 0.1430 17 H 0.8407 -2.6319 0.0672 H 1 UNL1111111111 0.1356 18 H -0.3905 -1.8423 1.0652 H 1 UNL1111111111 0.1766 19 H 2.0544 2.7231 -0.2615 H 1 UNL1111111111 0.1491 20 H 1.4313 1.8394 -1.6590 H 1 UNL1111111111 0.1455 21 H 1.9859 -1.6765 1.9536 H 1 UNL1111111111 0.1415 22 H 1.1395 -0.1458 1.8427 H 1 UNL1111111111 0.1600 23 H -0.7966 -2.6107 -1.5766 H 1 UNL1111111111 0.2582 24 H -1.2001 -1.2901 -2.4635 H 1 UNL1111111111 0.2542 25 H 3.5935 0.9490 -0.9355 H 1 UNL1111111111 0.1366 26 H 3.5747 -1.0528 0.3594 H 1 UNL1111111111 0.1373 27 H -3.7767 0.6501 0.3248 H 1 UNL1111111111 0.3506 @BOND 1 1 10 1 2 1 27 1 3 2 10 2 4 3 5 1 5 3 23 1 6 3 24 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 13 1 11 5 7 1 12 5 14 1 13 6 8 1 14 6 15 1 15 6 16 1 16 7 9 1 17 7 17 1 18 7 18 1 19 8 11 1 20 8 19 1 21 8 20 1 22 9 12 1 23 9 21 1 24 9 22 1 25 11 12 2 26 11 25 1 27 12 26 1