@MOLECULE [(E)-(1-hydroxy-2,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-ylidene)amino] acetate 26 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.2815 2.0858 0.0893 O.3 1 UNL11111111 -0.1090 2 O -2.6208 0.4619 -0.0055 O.3 1 UNL11111111 -0.0089 3 O -3.9609 -1.4136 -0.0625 O.2 1 UNL11111111 -0.2313 4 N 2.0735 1.5004 -0.3526 N.4 1 UNL11111111 -0.5311 5 N -1.5281 -0.3958 -0.0513 N.2 1 UNL11111111 -0.5471 6 C 0.8377 -0.5629 0.0342 C.3 1 UNL11111111 -0.3494 7 C 2.0757 0.0970 -0.1065 C.3 1 UNL11111111 0.5422 8 C -0.3991 0.2363 0.0836 C.2 1 UNL11111111 0.6273 9 C 0.8198 -1.9568 0.1346 C.3 1 UNL11111111 -0.0479 10 C 3.2720 -0.6295 -0.1207 C.3 1 UNL11111111 -0.4951 11 C -0.2283 1.6747 0.2812 C.3 1 UNL11111111 -0.6831 12 C 0.9844 2.2485 0.1505 C.3 1 UNL11111111 0.2167 13 C 2.0080 -2.6792 0.1084 C.3 1 UNL11111111 -0.3131 14 C 3.2291 -2.0152 -0.0148 C.3 1 UNL11111111 -0.0123 15 C -3.8252 -0.2283 -0.0493 C.2 1 UNL11111111 0.4141 16 C -4.8884 0.8247 -0.0642 C.3 1 UNL11111111 -0.8771 17 H -0.1408 -2.4757 0.2323 H 1 UNL11111111 0.2397 18 H 4.2257 -0.1128 -0.2059 H 1 UNL11111111 0.2327 19 H -1.1138 2.2531 0.5355 H 1 UNL11111111 0.2899 20 H 1.1854 3.3107 0.3215 H 1 UNL11111111 0.1473 21 H 1.9841 -3.7647 0.1862 H 1 UNL11111111 0.2278 22 H 4.1582 -2.5850 -0.0266 H 1 UNL11111111 0.1865 23 H 3.7263 2.3539 -0.7703 H 1 UNL11111111 0.2471 24 H -5.8868 0.3619 -0.1059 H 1 UNL11111111 0.2691 25 H -4.8476 1.4566 0.8353 H 1 UNL11111111 0.2923 26 H -4.7886 1.4888 -0.9361 H 1 UNL11111111 0.2728 @BOND 1 26 16 1 2 23 1 1 3 4 7 1 4 4 1 1 5 4 12 1 6 18 10 1 7 10 7 1 8 10 14 1 9 7 6 1 10 24 16 1 11 16 15 1 12 16 25 1 13 3 15 2 14 5 2 1 15 5 8 2 16 15 2 1 17 22 14 1 18 14 13 1 19 6 8 1 20 6 9 1 21 8 11 1 22 13 9 1 23 13 21 1 24 9 17 1 25 12 11 1 26 12 20 1 27 11 19 1