@MOLECULE 6',7a'-diphenyl-4a',7a'-dihydro-5'h-spiro[cyclohexane-1,3'-cyclopenta[e][1,2,4]trioxin]-5'-one 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2783 1.2195 -0.4132 O.3 1 UNL1111111111 -0.4019 2 O 2.4504 -0.2550 0.9903 O.3 1 UNL1111111111 -0.2167 3 O 1.1511 -0.4544 1.5424 O.3 1 UNL1111111111 -0.0989 4 O -1.1455 1.2866 -2.0142 O.2 1 UNL1111111111 -0.3755 5 C 2.4603 1.0095 0.3454 C.3 1 UNL1111111111 0.3938 6 C 0.3272 -0.8743 0.4665 C.3 1 UNL1111111111 0.0889 7 C 0.5520 0.0723 -0.7589 C.3 1 UNL1111111111 -0.0208 8 C 2.4837 2.1513 1.3637 C.3 1 UNL1111111111 -0.3212 9 C 3.6779 0.9424 -0.5838 C.3 1 UNL1111111111 -0.3278 10 C 2.7286 3.4846 0.6528 C.3 1 UNL1111111111 -0.2561 11 C 3.8747 2.3053 -1.2549 C.3 1 UNL1111111111 -0.2504 12 C 3.9991 3.4174 -0.2051 C.3 1 UNL1111111111 -0.2695 13 C -1.0979 -0.6096 0.9092 C.2 1 UNL1111111111 -0.1116 14 C -0.8607 0.6320 -1.0573 C.2 1 UNL1111111111 0.4440 15 C 0.5412 -2.3184 0.1190 C.ar 1 UNL1111111111 -0.0581 16 C -1.7597 0.1884 0.0534 C.2 1 UNL1111111111 -0.1298 17 C -3.1453 0.6095 0.1282 C.ar 1 UNL1111111111 -0.0061 18 C -0.2355 -2.9115 -0.8798 C.ar 1 UNL1111111111 -0.1555 19 C 1.5105 -3.0662 0.7843 C.ar 1 UNL1111111111 -0.1248 20 C -0.0367 -4.2483 -1.2120 C.ar 1 UNL1111111111 -0.1439 21 C 1.7087 -4.4042 0.4467 C.ar 1 UNL1111111111 -0.1520 22 C -4.1150 -0.2636 0.6357 C.ar 1 UNL1111111111 -0.1410 23 C -3.5217 1.8862 -0.3034 C.ar 1 UNL1111111111 -0.1218 24 C 0.9372 -4.9960 -0.5507 C.ar 1 UNL1111111111 -0.1458 25 C -5.4445 0.1408 0.7154 C.ar 1 UNL1111111111 -0.1582 26 C -4.8524 2.2865 -0.2187 C.ar 1 UNL1111111111 -0.1552 27 C -5.8146 1.4160 0.2908 C.ar 1 UNL1111111111 -0.1389 28 H 1.0227 -0.4256 -1.6252 H 1 UNL1111111111 0.1596 29 H 3.2704 1.9523 2.1153 H 1 UNL1111111111 0.1547 30 H 1.5246 2.1757 1.9183 H 1 UNL1111111111 0.1633 31 H 3.5327 0.1523 -1.3443 H 1 UNL1111111111 0.1556 32 H 4.5763 0.6558 -0.0058 H 1 UNL1111111111 0.1555 33 H 2.8066 4.3017 1.3923 H 1 UNL1111111111 0.1334 34 H 1.8559 3.7298 0.0135 H 1 UNL1111111111 0.1535 35 H 3.0157 2.5166 -1.9244 H 1 UNL1111111111 0.1549 36 H 4.7706 2.2839 -1.9008 H 1 UNL1111111111 0.1329 37 H 4.1703 4.3893 -0.7033 H 1 UNL1111111111 0.1347 38 H 4.8828 3.2411 0.4349 H 1 UNL1111111111 0.1359 39 H -1.4618 -1.0566 1.8196 H 1 UNL1111111111 0.1749 40 H -0.9994 -2.3335 -1.3982 H 1 UNL1111111111 0.1568 41 H 2.1174 -2.6091 1.5680 H 1 UNL1111111111 0.1707 42 H -0.6418 -4.7105 -1.9895 H 1 UNL1111111111 0.1500 43 H 2.4687 -4.9857 0.9647 H 1 UNL1111111111 0.1494 44 H -3.8312 -1.2626 0.9620 H 1 UNL1111111111 0.1533 45 H -2.7728 2.5668 -0.7127 H 1 UNL1111111111 0.1703 46 H 1.0938 -6.0398 -0.8138 H 1 UNL1111111111 0.1469 47 H -6.1966 -0.5397 1.1089 H 1 UNL1111111111 0.1484 48 H -5.1414 3.2806 -0.5548 H 1 UNL1111111111 0.1523 49 H -6.8541 1.7307 0.3547 H 1 UNL1111111111 0.1481 @BOND 1 1 5 1 2 1 7 1 3 2 3 1 4 2 5 1 5 3 6 1 6 4 14 2 7 5 8 1 8 5 9 1 9 6 7 1 10 6 13 1 11 6 15 1 12 7 14 1 13 7 28 1 14 8 10 1 15 8 29 1 16 8 30 1 17 9 11 1 18 9 31 1 19 9 32 1 20 10 12 1 21 10 33 1 22 10 34 1 23 11 12 1 24 11 35 1 25 11 36 1 26 12 37 1 27 12 38 1 28 13 16 2 29 13 39 1 30 14 16 1 31 15 18 ar 32 15 19 ar 33 16 17 1 34 17 22 ar 35 17 23 ar 36 18 20 ar 37 18 40 1 38 19 21 ar 39 19 41 1 40 20 24 ar 41 20 42 1 42 21 24 ar 43 21 43 1 44 22 25 ar 45 22 44 1 46 23 26 ar 47 23 45 1 48 24 46 1 49 25 27 ar 50 25 47 1 51 26 27 ar 52 26 48 1 53 27 49 1