@MOLECULE 2-(9-oxo-1,2,3,4,5,6,7,8-octahydroacridine-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecaid-10-yl)acetic acid 30 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2222 -0.0042 0.2660 C.3 1 UNL11111111 0.2692 2 C -3.6803 -1.2880 -0.1871 C.3 1 UNL11111111 -0.2400 3 C 2.4495 0.6339 0.2525 C.3 1 UNL11111111 -0.2866 4 C 3.6285 -0.0614 0.0287 C.3 1 UNL11111111 -0.0381 5 C 3.6218 -1.4426 -0.1878 C.3 1 UNL11111111 -0.2399 6 C 2.4145 -2.1251 -0.1925 C.3 1 UNL11111111 -0.0069 7 C 1.2124 -1.4436 0.0257 C.3 1 UNL11111111 -0.2555 8 C 1.2192 -0.0562 0.2657 C.3 1 UNL11111111 0.2689 9 N 0.0120 0.6014 0.5486 N.4 1 UNL11111111 -0.3754 10 C -0.0470 -2.1979 -0.0124 C.2 1 UNL11111111 0.4883 11 C -1.2730 -1.3905 0.0254 C.3 1 UNL11111111 -0.2557 12 C -2.4223 0.7371 0.2544 C.3 1 UNL11111111 -0.2864 13 C -2.5029 -2.0206 -0.1928 C.3 1 UNL11111111 -0.0069 14 C -3.6295 0.0920 0.0309 C.3 1 UNL11111111 -0.0380 15 O -0.0728 -3.4080 -0.0878 O.2 1 UNL11111111 -0.4671 16 C 0.0422 2.0076 0.9287 C.3 1 UNL11111111 -0.1525 17 O 0.1036 4.2078 0.1611 O.3 1 UNL11111111 -0.5733 18 O 0.0478 2.6556 -1.4466 O.2 1 UNL11111111 -0.4442 19 C 0.0627 2.9219 -0.2805 C.2 1 UNL11111111 0.5967 20 H -4.6352 -1.7782 -0.3566 H 1 UNL11111111 0.1599 21 H 2.4927 1.7095 0.3886 H 1 UNL11111111 0.1597 22 H 4.5764 0.4793 0.0154 H 1 UNL11111111 0.1484 23 H 4.5552 -1.9724 -0.3576 H 1 UNL11111111 0.1600 24 H 2.3809 -3.2065 -0.3682 H 1 UNL11111111 0.1760 25 H -2.4203 1.8135 0.3917 H 1 UNL11111111 0.1596 26 H -2.5150 -3.1025 -0.3688 H 1 UNL11111111 0.1760 27 H -4.5541 0.6718 0.0192 H 1 UNL11111111 0.1484 28 H -0.8356 2.2581 1.5811 H 1 UNL11111111 0.1962 29 H 0.9290 2.2196 1.5828 H 1 UNL11111111 0.1964 30 H 0.1191 4.8796 -0.5646 H 1 UNL11111111 0.3630 @BOND 1 18 19 2 2 30 17 1 3 26 13 1 4 24 6 1 5 23 5 1 6 20 2 1 7 19 17 1 8 19 16 1 9 13 2 1 10 13 11 1 11 6 5 1 12 6 7 1 13 5 4 1 14 2 14 1 15 15 10 2 16 10 11 1 17 10 7 1 18 22 4 1 19 27 14 1 20 11 1 1 21 7 8 1 22 4 3 1 23 14 12 1 24 3 8 1 25 3 21 1 26 12 1 1 27 12 25 1 28 8 9 1 29 1 9 1 30 9 16 1 31 16 28 1 32 16 29 1