@MOLECULE solsolona 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2601 -0.8365 1.9993 O.3 1 UNL1111111111 -0.5777 2 O 0.4520 1.7059 -1.6286 O.3 1 UNL1111111111 -0.5632 3 O -4.1451 -1.3335 -0.8401 O.2 1 UNL1111111111 -0.4149 4 O -5.7149 0.3367 0.4900 O.3 1 UNL1111111111 -0.3939 5 O 6.3135 1.7616 1.7446 O.2 1 UNL1111111111 -0.4554 6 O -5.1404 2.5031 0.2811 O.2 1 UNL1111111111 -0.5127 7 C -1.1447 -0.5661 -0.1607 C.3 1 UNL1111111111 0.0441 8 C 0.0392 -1.4755 0.2623 C.3 1 UNL1111111111 -0.1456 9 C 1.3318 -1.0993 -0.4604 C.3 1 UNL1111111111 -0.1219 10 C 1.6900 0.3398 -0.0171 C.3 1 UNL1111111111 -0.1913 11 C -2.2938 -1.2537 0.6512 C.3 1 UNL1111111111 0.1673 12 C -0.8340 0.8703 0.2445 C.3 1 UNL1111111111 -0.3601 13 C 0.5392 1.3447 -0.2736 C.3 1 UNL1111111111 0.1622 14 C -0.5219 -2.8971 0.0953 C.3 1 UNL1111111111 -0.2771 15 C 3.0464 0.7938 -0.6366 C.3 1 UNL1111111111 0.0269 16 C -1.9970 -2.7686 0.5443 C.3 1 UNL1111111111 -0.3224 17 C 2.4533 -2.0689 -0.0607 C.3 1 UNL1111111111 -0.2937 18 C 3.8047 -1.6290 -0.6548 C.3 1 UNL1111111111 -0.1094 19 C -1.4887 -0.6511 -1.6504 C.3 1 UNL1111111111 -0.4619 20 C 4.0822 -0.2247 -0.1901 C.2 1 UNL1111111111 0.0735 21 C -3.7016 -0.8861 0.1832 C.2 1 UNL1111111111 0.4150 22 C 3.0574 0.8612 -2.1739 C.3 1 UNL1111111111 -0.4468 23 C 3.3468 2.1892 -0.1521 C.2 1 UNL1111111111 -0.0868 24 C 4.8880 -2.6393 -0.2701 C.3 1 UNL1111111111 -0.4489 25 C 5.1284 0.1073 0.5769 C.2 1 UNL1111111111 -0.3493 26 C -4.4645 0.0422 1.0930 C.3 1 UNL1111111111 -0.1218 27 C 4.3941 2.5056 0.6126 C.2 1 UNL1111111111 -0.2987 28 C 5.3663 1.4823 1.0432 C.2 1 UNL1111111111 0.4762 29 C -5.9266 1.6159 0.0749 C.2 1 UNL1111111111 0.6278 30 C -7.2472 1.6958 -0.6066 C.3 1 UNL1111111111 -0.5106 31 H 0.2264 -1.3183 1.3601 H 1 UNL1111111111 0.1347 32 H 1.1915 -1.1374 -1.5632 H 1 UNL1111111111 0.1427 33 H 1.8466 0.3206 1.0951 H 1 UNL1111111111 0.1539 34 H -0.8723 0.9801 1.3462 H 1 UNL1111111111 0.1639 35 H -1.6098 1.5662 -0.1393 H 1 UNL1111111111 0.1735 36 H 0.7824 2.3310 0.1948 H 1 UNL1111111111 0.1424 37 H 0.0273 -3.6345 0.6972 H 1 UNL1111111111 0.1383 38 H -0.4520 -3.2381 -0.9512 H 1 UNL1111111111 0.1474 39 H -2.6757 -3.2541 -0.1802 H 1 UNL1111111111 0.1686 40 H -2.1771 -3.2697 1.5088 H 1 UNL1111111111 0.1529 41 H 2.2091 -3.0904 -0.4039 H 1 UNL1111111111 0.1447 42 H 2.5352 -2.1311 1.0413 H 1 UNL1111111111 0.1485 43 H 3.7268 -1.6238 -1.7742 H 1 UNL1111111111 0.1527 44 H -2.2235 0.1135 -1.9417 H 1 UNL1111111111 0.1639 45 H -0.6089 -0.5271 -2.2918 H 1 UNL1111111111 0.1388 46 H -1.9350 -1.6203 -1.9202 H 1 UNL1111111111 0.1692 47 H 2.4833 1.7252 -2.5422 H 1 UNL1111111111 0.1770 48 H 4.0820 0.9702 -2.5514 H 1 UNL1111111111 0.1544 49 H 2.6216 -0.0297 -2.6330 H 1 UNL1111111111 0.1435 50 H 2.6414 2.9497 -0.5006 H 1 UNL1111111111 0.1649 51 H -1.4666 -1.1819 2.4578 H 1 UNL1111111111 0.3347 52 H 0.2118 0.9340 -2.1876 H 1 UNL1111111111 0.3193 53 H 4.6544 -3.6362 -0.6607 H 1 UNL1111111111 0.1458 54 H 5.8655 -2.3515 -0.6772 H 1 UNL1111111111 0.1539 55 H 4.9942 -2.7311 0.8174 H 1 UNL1111111111 0.1527 56 H 5.8752 -0.6129 0.9101 H 1 UNL1111111111 0.1814 57 H -3.8809 0.9554 1.3335 H 1 UNL1111111111 0.1889 58 H -4.7246 -0.4632 2.0472 H 1 UNL1111111111 0.1783 59 H 4.6009 3.5194 0.9508 H 1 UNL1111111111 0.1781 60 H -7.7259 0.7101 -0.7270 H 1 UNL1111111111 0.1887 61 H -7.1373 2.1379 -1.6104 H 1 UNL1111111111 0.1882 62 H -7.9376 2.3398 -0.0388 H 1 UNL1111111111 0.1851 @BOND 1 1 11 1 2 1 51 1 3 2 13 1 4 2 52 1 5 3 21 2 6 4 26 1 7 4 29 1 8 5 28 2 9 6 29 2 10 7 8 1 11 7 11 1 12 7 12 1 13 7 19 1 14 8 9 1 15 8 14 1 16 8 31 1 17 9 10 1 18 9 17 1 19 9 32 1 20 10 13 1 21 10 15 1 22 10 33 1 23 11 16 1 24 11 21 1 25 12 13 1 26 12 34 1 27 12 35 1 28 13 36 1 29 14 16 1 30 14 37 1 31 14 38 1 32 15 20 1 33 15 22 1 34 15 23 1 35 16 39 1 36 16 40 1 37 17 18 1 38 17 41 1 39 17 42 1 40 18 20 1 41 18 24 1 42 18 43 1 43 19 44 1 44 19 45 1 45 19 46 1 46 20 25 2 47 21 26 1 48 22 47 1 49 22 48 1 50 22 49 1 51 23 27 2 52 23 50 1 53 24 53 1 54 24 54 1 55 24 55 1 56 25 28 1 57 25 56 1 58 26 57 1 59 26 58 1 60 27 28 1 61 27 59 1 62 29 30 1 63 30 60 1 64 30 61 1 65 30 62 1