@MOLECULE {[1-(2-hydroxyethyl)-1,2,3,4,4a,5-hexahydro-6-quinolinyl]methylene}malononitrile 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.2927 -2.0485 1.0347 O.3 1 UNL11111111 -0.5341 2 N -2.7477 0.0620 -0.4082 N.pl3 1 UNL11111111 -0.4102 3 N 3.3628 -2.6006 0.6793 N.1 1 UNL11111111 -0.2619 4 N 6.2749 0.5754 0.1814 N.1 1 UNL11111111 -0.2502 5 C -0.7798 1.3887 0.3295 C.3 1 UNL11111111 -0.1418 6 C -1.7079 2.6045 0.3726 C.3 1 UNL11111111 -0.2824 7 C -1.3954 0.1842 -0.3614 C.2 1 UNL11111111 0.3229 8 C -3.0684 2.1642 0.9075 C.3 1 UNL11111111 -0.2961 9 C -3.6815 1.1469 -0.0607 C.3 1 UNL11111111 -0.0743 10 C 0.5550 1.7586 -0.3412 C.3 1 UNL11111111 -0.2442 11 C -3.3813 -1.1228 -1.0043 C.3 1 UNL11111111 -0.1348 12 C 1.4477 0.5512 -0.4254 C.2 1 UNL11111111 -0.2372 13 C -0.5411 -0.8084 -0.8058 C.2 1 UNL11111111 -0.4866 14 C 0.8657 -0.6535 -0.7068 C.2 1 UNL11111111 0.0763 15 C -3.3775 -2.3008 -0.0064 C.3 1 UNL11111111 -0.0194 16 C 2.8473 0.7736 -0.2765 C.2 1 UNL11111111 0.0722 17 C 3.8021 -0.1415 0.0594 C.2 1 UNL11111111 -0.1822 18 C 3.5517 -1.4939 0.3920 C.1 1 UNL11111111 0.1529 19 C 5.1646 0.2500 0.1296 C.1 1 UNL11111111 0.1371 20 H -0.5609 1.0608 1.3853 H 1 UNL11111111 0.1729 21 H -1.8118 3.0556 -0.6330 H 1 UNL11111111 0.1500 22 H -1.2723 3.3966 1.0119 H 1 UNL11111111 0.1539 23 H -2.9643 1.7288 1.9205 H 1 UNL11111111 0.1542 24 H -3.7482 3.0306 1.0218 H 1 UNL11111111 0.1557 25 H -4.5984 0.6971 0.3917 H 1 UNL11111111 0.1519 26 H -3.9992 1.6608 -1.0004 H 1 UNL11111111 0.1420 27 H 1.0316 2.5818 0.2261 H 1 UNL11111111 0.1481 28 H 0.3751 2.1540 -1.3638 H 1 UNL11111111 0.1506 29 H -2.8600 -1.4097 -1.9472 H 1 UNL11111111 0.1595 30 H -4.4326 -0.8908 -1.2916 H 1 UNL11111111 0.1601 31 H -0.9057 -1.7344 -1.2297 H 1 UNL11111111 0.1690 32 H 1.4724 -1.5460 -0.8967 H 1 UNL11111111 0.1592 33 H -2.3727 -2.4935 0.4119 H 1 UNL11111111 0.1407 34 H -3.7714 -3.2234 -0.4748 H 1 UNL11111111 0.1519 35 H 3.1779 1.8152 -0.4374 H 1 UNL11111111 0.1598 36 H -3.9547 -1.3388 1.6182 H 1 UNL11111111 0.3143 @BOND 1 29 11 1 2 28 10 1 3 30 11 1 4 31 13 1 5 11 2 1 6 11 15 1 7 26 9 1 8 32 14 1 9 13 14 1 10 13 7 2 11 14 12 2 12 21 6 1 13 34 15 1 14 35 16 1 15 12 10 1 16 12 16 1 17 2 7 1 18 2 9 1 19 7 5 1 20 10 27 1 21 10 5 1 22 16 17 2 23 9 25 1 24 9 8 1 25 15 33 1 26 15 1 1 27 17 19 1 28 17 18 1 29 19 4 3 30 5 6 1 31 5 20 1 32 6 8 1 33 6 22 1 34 18 3 3 35 8 24 1 36 8 23 1 37 1 36 1