@MOLECULE 3'-norspongiolactone 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8731 -3.5777 -0.1494 O.3 1 UNL1111111111 -0.4241 2 O 3.7844 0.4884 0.1512 O.3 1 UNL1111111111 -0.4498 3 O -0.9216 -4.9731 -0.5385 O.2 1 UNL1111111111 -0.4096 4 O 5.4203 -0.4229 -1.0876 O.2 1 UNL1111111111 -0.5015 5 C 0.4697 -1.1563 -0.0717 C.3 1 UNL1111111111 -0.1623 6 C 0.6430 -2.4343 0.7443 C.3 1 UNL1111111111 0.0995 7 C -0.9367 -0.6865 0.2354 C.2 1 UNL1111111111 -0.0642 8 C -2.7177 1.0778 0.5718 C.3 1 UNL1111111111 0.0832 9 C -0.8036 -2.9666 1.0342 C.3 1 UNL1111111111 -0.2528 10 C -1.3046 0.6029 0.2388 C.2 1 UNL1111111111 -0.0378 11 C 1.5148 -0.0781 0.2126 C.3 1 UNL1111111111 -0.1310 12 C -1.7772 -1.8967 0.5575 C.3 1 UNL1111111111 -0.2688 13 C -3.7291 0.2675 -0.2782 C.3 1 UNL1111111111 -0.3192 14 C -0.2873 1.6804 -0.0175 C.3 1 UNL1111111111 -0.2806 15 C 1.0736 1.1902 -0.5272 C.3 1 UNL1111111111 -0.2668 16 C -5.0017 1.0181 -0.7349 C.3 1 UNL1111111111 0.1231 17 C -2.9070 2.5856 0.2981 C.3 1 UNL1111111111 -0.2851 18 C -0.4333 -4.0478 0.0147 C.2 1 UNL1111111111 0.5874 19 C -5.4207 2.0623 0.3123 C.3 1 UNL1111111111 -0.2911 20 C -4.3242 3.0940 0.6019 C.3 1 UNL1111111111 -0.2574 21 C -2.9262 0.8422 2.0825 C.3 1 UNL1111111111 -0.4593 22 C 2.8884 -0.5375 -0.2927 C.3 1 UNL1111111111 -0.0290 23 C -4.7922 1.6727 -2.1099 C.3 1 UNL1111111111 -0.4638 24 C -6.1444 -0.0117 -0.8767 C.3 1 UNL1111111111 -0.4747 25 C 5.0541 0.4341 -0.3276 C.2 1 UNL1111111111 0.6078 26 C 5.8404 1.5735 0.2443 C.3 1 UNL1111111111 -0.3537 27 C 7.2853 1.5247 -0.2619 C.3 1 UNL1111111111 -0.2328 28 C 8.0990 2.6816 0.3118 C.3 1 UNL1111111111 -0.4395 29 H 0.5145 -1.4239 -1.1657 H 1 UNL1111111111 0.1807 30 H 1.3884 -2.4357 1.5390 H 1 UNL1111111111 0.1505 31 H -1.0097 -3.3466 2.0401 H 1 UNL1111111111 0.1704 32 H 1.5752 0.1322 1.3067 H 1 UNL1111111111 0.1562 33 H -2.5374 -1.6831 1.3328 H 1 UNL1111111111 0.1594 34 H -2.3429 -2.2289 -0.3370 H 1 UNL1111111111 0.1665 35 H -3.2161 -0.1207 -1.1799 H 1 UNL1111111111 0.1486 36 H -4.0403 -0.6229 0.3001 H 1 UNL1111111111 0.1417 37 H -0.6774 2.4117 -0.7574 H 1 UNL1111111111 0.1505 38 H -0.1408 2.2464 0.9289 H 1 UNL1111111111 0.1498 39 H 1.0203 0.9956 -1.6161 H 1 UNL1111111111 0.1442 40 H 1.8328 1.9860 -0.3980 H 1 UNL1111111111 0.1486 41 H -2.6699 2.7909 -0.7652 H 1 UNL1111111111 0.1405 42 H -2.1887 3.1750 0.8987 H 1 UNL1111111111 0.1335 43 H -5.6976 1.5401 1.2486 H 1 UNL1111111111 0.1356 44 H -6.3399 2.5786 -0.0209 H 1 UNL1111111111 0.1336 45 H -4.3905 3.4090 1.6600 H 1 UNL1111111111 0.1301 46 H -4.5084 4.0104 0.0089 H 1 UNL1111111111 0.1307 47 H -3.9475 1.0964 2.3837 H 1 UNL1111111111 0.1515 48 H -2.2415 1.4623 2.6711 H 1 UNL1111111111 0.1455 49 H -2.7478 -0.1983 2.3698 H 1 UNL1111111111 0.1429 50 H 2.9391 -0.6213 -1.3931 H 1 UNL1111111111 0.1457 51 H 3.2148 -1.4922 0.1549 H 1 UNL1111111111 0.1406 52 H -4.5667 0.9246 -2.8770 H 1 UNL1111111111 0.1442 53 H -3.9645 2.3887 -2.0975 H 1 UNL1111111111 0.1471 54 H -5.6870 2.2161 -2.4298 H 1 UNL1111111111 0.1421 55 H -5.8789 -0.8015 -1.5869 H 1 UNL1111111111 0.1480 56 H -7.0604 0.4630 -1.2419 H 1 UNL1111111111 0.1446 57 H -6.3803 -0.4885 0.0793 H 1 UNL1111111111 0.1421 58 H 5.3600 2.5378 -0.0259 H 1 UNL1111111111 0.1756 59 H 5.8096 1.5355 1.3543 H 1 UNL1111111111 0.1768 60 H 7.7495 0.5543 0.0075 H 1 UNL1111111111 0.1514 61 H 7.3005 1.5532 -1.3703 H 1 UNL1111111111 0.1513 62 H 7.6826 3.6529 0.0218 H 1 UNL1111111111 0.1430 63 H 8.1338 2.6488 1.4067 H 1 UNL1111111111 0.1434 64 H 9.1347 2.6506 -0.0481 H 1 UNL1111111111 0.1469 @BOND 1 1 6 1 2 1 18 1 3 2 22 1 4 2 25 1 5 3 18 2 6 4 25 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 29 1 11 6 9 1 12 6 30 1 13 7 10 2 14 7 12 1 15 8 10 1 16 8 13 1 17 8 17 1 18 8 21 1 19 9 12 1 20 9 18 1 21 9 31 1 22 10 14 1 23 11 15 1 24 11 22 1 25 11 32 1 26 12 33 1 27 12 34 1 28 13 16 1 29 13 35 1 30 13 36 1 31 14 15 1 32 14 37 1 33 14 38 1 34 15 39 1 35 15 40 1 36 16 19 1 37 16 23 1 38 16 24 1 39 17 20 1 40 17 41 1 41 17 42 1 42 19 20 1 43 19 43 1 44 19 44 1 45 20 45 1 46 20 46 1 47 21 47 1 48 21 48 1 49 21 49 1 50 22 50 1 51 22 51 1 52 23 52 1 53 23 53 1 54 23 54 1 55 24 55 1 56 24 56 1 57 24 57 1 58 25 26 1 59 26 27 1 60 26 58 1 61 26 59 1 62 27 28 1 63 27 60 1 64 27 61 1 65 28 62 1 66 28 63 1 67 28 64 1