@MOLECULE (2s)-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole] 42 45 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.2194 -0.4818 0.1320 O.3 1 UNL111 -0.0805 2 O 5.8552 -1.3586 -0.6463 O.2 1 UNL111 -0.1602 3 O 5.8992 0.6548 0.1091 O.2 1 UNL111 -0.2006 4 N -2.0302 0.1686 1.3885 N.pl3 1 UNL111 -0.3897 5 N 5.2988 -0.3549 -0.2276 N.pl3 1 UNL111 -0.0775 6 C -1.8709 0.9348 -0.9249 C.3 1 UNL111 0.2938 7 C -1.0459 0.6761 0.4184 C.3 1 UNL111 0.4370 8 C -3.1096 0.1124 -0.6785 C.ar 1 UNL111 -0.1549 9 C -3.1287 -0.3519 0.6607 C.ar 1 UNL111 0.3147 10 C -2.2402 2.4120 -1.0513 C.3 1 UNL111 -0.9632 11 C -1.0958 0.4670 -2.1492 C.3 1 UNL111 -0.8988 12 C -0.2932 1.8463 0.9513 C.2 1 UNL111 -0.3977 13 C -1.5132 -0.5967 2.5257 C.3 1 UNL111 -0.7303 14 C -4.1411 -0.1989 -1.5374 C.ar 1 UNL111 -0.1515 15 C -4.1738 -1.1317 1.1372 C.ar 1 UNL111 -0.3622 16 C 1.1088 -0.3848 0.0704 C.ar 1 UNL111 0.0274 17 C 1.0442 1.9037 0.9322 C.2 1 UNL111 -0.2448 18 C 1.8123 0.7814 0.4337 C.ar 1 UNL111 0.1679 19 C -5.2019 -0.9822 -1.0613 C.ar 1 UNL111 -0.3074 20 C -5.2144 -1.4369 0.2531 C.ar 1 UNL111 -0.0847 21 C 1.7716 -1.5454 -0.3738 C.ar 1 UNL111 -0.2054 22 C 3.1997 0.7854 0.3313 C.ar 1 UNL111 -0.5834 23 C 3.8565 -0.3615 -0.1221 C.ar 1 UNL111 0.5598 24 C 3.1491 -1.5264 -0.4710 C.ar 1 UNL111 -0.4387 25 H -2.7893 2.7672 -0.1696 H 1 UNL111 0.2665 26 H -2.8926 2.5759 -1.9189 H 1 UNL111 0.2797 27 H -1.3538 3.0435 -1.1816 H 1 UNL111 0.2751 28 H -0.1159 0.9541 -2.2174 H 1 UNL111 0.2481 29 H -1.6438 0.6899 -3.0731 H 1 UNL111 0.2736 30 H -0.9258 -0.6188 -2.1304 H 1 UNL111 0.2454 31 H -0.9182 2.6423 1.3566 H 1 UNL111 0.2552 32 H -1.2281 -1.6297 2.2639 H 1 UNL111 0.2669 33 H -0.6264 -0.0876 2.9429 H 1 UNL111 0.2888 34 H -2.2872 -0.6293 3.3141 H 1 UNL111 0.2953 35 H -4.1346 0.1515 -2.5670 H 1 UNL111 0.1869 36 H -4.1911 -1.4912 2.1598 H 1 UNL111 0.2478 37 H 1.5952 2.7705 1.2993 H 1 UNL111 0.2192 38 H -6.0200 -1.2355 -1.7311 H 1 UNL111 0.1959 39 H -6.0471 -2.0450 0.6062 H 1 UNL111 0.1922 40 H 1.1905 -2.4284 -0.6340 H 1 UNL111 0.2387 41 H 3.7750 1.6775 0.6052 H 1 UNL111 0.3388 42 H 3.6976 -2.4105 -0.8186 H 1 UNL111 0.3172 @BOND 1 29 11 1 2 35 14 1 3 28 11 1 4 11 30 1 5 11 6 1 6 26 10 1 7 38 19 1 8 14 19 ar 9 14 8 ar 10 27 10 1 11 19 20 ar 12 10 6 1 13 10 25 1 14 6 8 1 15 6 7 1 16 42 24 1 17 8 9 ar 18 2 5 2 19 40 21 1 20 24 21 ar 21 24 23 ar 22 21 16 ar 23 5 23 1 24 5 3 2 25 23 22 ar 26 16 1 1 27 16 18 ar 28 1 7 1 29 20 39 1 30 20 15 ar 31 22 18 ar 32 22 41 1 33 7 12 1 34 7 4 1 35 18 17 1 36 9 15 ar 37 9 4 1 38 17 12 2 39 17 37 1 40 12 31 1 41 15 36 1 42 4 13 1 43 32 13 1 44 13 33 1 45 13 34 1