@MOLECULE tetracyclononyl orthosilicate 109 112 0 0 0 SMALL GASTEIGER @ATOM 1 SI -0.5997 0.1673 0.0056 Si 1 UNL11 0.8600 2 O 0.0930 0.7840 -1.2315 O.3 1 UNL11 -0.5526 3 O 0.4304 -0.0958 1.1236 O.3 1 UNL11 -0.5586 4 O -1.6707 1.1445 0.5149 O.3 1 UNL11 -0.5446 5 O -1.2658 -1.1555 -0.4069 O.3 1 UNL11 -0.5451 6 C 0.9384 1.3062 -2.1788 C.3 1 UNL11 0.2799 7 C 1.3676 -0.2486 2.1129 C.3 1 UNL11 0.2810 8 C -2.6828 1.9848 0.9039 C.3 1 UNL11 0.2762 9 C -1.7733 -2.3923 -0.7137 C.3 1 UNL11 0.2769 10 C 1.4786 0.1568 -3.0651 C.3 1 UNL11 -0.3229 11 C 2.0228 2.1486 -1.4675 C.3 1 UNL11 -0.3327 12 C 1.3802 1.0159 3.0056 C.3 1 UNL11 -0.3222 13 C 2.7169 -0.5866 1.4331 C.3 1 UNL11 -0.3269 14 C -3.9200 1.1403 1.2945 C.3 1 UNL11 -0.3236 15 C -2.9183 3.0093 -0.2300 C.3 1 UNL11 -0.3271 16 C -2.4184 -2.9984 0.5566 C.3 1 UNL11 -0.3235 17 C -0.6384 -3.2342 -1.3418 C.3 1 UNL11 -0.3266 18 C 2.4780 -0.7746 -2.3694 C.3 1 UNL11 -0.2465 19 C 2.9860 2.8235 -2.4487 C.3 1 UNL11 -0.2553 20 C 1.9076 2.2762 2.3105 C.3 1 UNL11 -0.2477 21 C 3.8521 -0.8017 2.4389 C.3 1 UNL11 -0.2548 22 C -4.6325 0.4738 0.1121 C.3 1 UNL11 -0.2454 23 C -3.9710 4.0552 0.1522 C.3 1 UNL11 -0.2595 24 C -1.4132 -3.4262 1.6322 C.3 1 UNL11 -0.2442 25 C -1.1298 -4.6079 -1.8096 C.3 1 UNL11 -0.2584 26 C 3.8008 -0.9440 -3.1340 C.3 1 UNL11 -0.2744 27 C 4.4639 2.5941 -2.0891 C.3 1 UNL11 -0.2706 28 C 3.0344 2.9836 3.0799 C.3 1 UNL11 -0.2763 29 C 5.1120 0.0164 2.1064 C.3 1 UNL11 -0.2727 30 C -6.1376 0.7811 0.0521 C.3 1 UNL11 -0.2758 31 C -5.0599 4.2406 -0.9180 C.3 1 UNL11 -0.2719 32 C -1.5810 -4.8869 2.0820 C.3 1 UNL11 -0.2769 33 C -0.2480 -5.7664 -1.3133 C.3 1 UNL11 -0.2713 34 C 4.5783 0.3634 -3.3563 C.3 1 UNL11 -0.2650 35 C 4.8888 1.1165 -2.0534 C.3 1 UNL11 -0.2632 36 C 4.2766 2.1130 3.3286 C.3 1 UNL11 -0.2643 37 C 4.8828 1.5352 2.0403 C.3 1 UNL11 -0.2627 38 C -6.4744 2.2773 -0.0562 C.3 1 UNL11 -0.2664 39 C -5.8261 2.9558 -1.2732 C.3 1 UNL11 -0.2646 40 C -1.4493 -5.9203 0.9513 C.3 1 UNL11 -0.2679 41 C -0.1029 -5.8418 0.2155 C.3 1 UNL11 -0.2647 42 H 0.2891 1.9758 -2.8039 H 1 UNL11 0.1074 43 H 1.0223 -1.1255 2.7230 H 1 UNL11 0.1055 44 H -2.2954 2.5124 1.8166 H 1 UNL11 0.1061 45 H -2.5735 -2.2033 -1.4786 H 1 UNL11 0.1067 46 H 1.9269 0.5972 -3.9735 H 1 UNL11 0.1372 47 H 0.6117 -0.4347 -3.4215 H 1 UNL11 0.1469 48 H 2.5774 1.5069 -0.7570 H 1 UNL11 0.1557 49 H 1.5251 2.9108 -0.8369 H 1 UNL11 0.1481 50 H 1.9664 0.7992 3.9159 H 1 UNL11 0.1371 51 H 0.3446 1.1974 3.3577 H 1 UNL11 0.1475 52 H 2.9767 0.2174 0.7193 H 1 UNL11 0.1535 53 H 2.5810 -1.4901 0.8078 H 1 UNL11 0.1471 54 H -4.6192 1.7843 1.8568 H 1 UNL11 0.1385 55 H -3.5929 0.3628 2.0141 H 1 UNL11 0.1486 56 H -3.1992 2.4785 -1.1588 H 1 UNL11 0.1595 57 H -1.9567 3.5018 -0.4717 H 1 UNL11 0.1498 58 H -3.0549 -3.8489 0.2556 H 1 UNL11 0.1383 59 H -3.1137 -2.2461 0.9820 H 1 UNL11 0.1480 60 H 0.1937 -3.3331 -0.6200 H 1 UNL11 0.1588 61 H -0.2080 -2.6698 -2.1922 H 1 UNL11 0.1487 62 H 2.0155 -1.7713 -2.2253 H 1 UNL11 0.1323 63 H 2.6887 -0.4140 -1.3437 H 1 UNL11 0.1517 64 H 2.7881 3.9122 -2.4748 H 1 UNL11 0.1265 65 H 2.8008 2.4737 -3.4817 H 1 UNL11 0.1352 66 H 1.0740 2.9894 2.1568 H 1 UNL11 0.1341 67 H 2.2567 2.0322 1.2882 H 1 UNL11 0.1504 68 H 4.1215 -1.8750 2.4736 H 1 UNL11 0.1272 69 H 3.5172 -0.5573 3.4645 H 1 UNL11 0.1346 70 H -4.4900 -0.6235 0.1638 H 1 UNL11 0.1326 71 H -4.1531 0.7692 -0.8422 H 1 UNL11 0.1512 72 H -3.4774 5.0297 0.3328 H 1 UNL11 0.1265 73 H -4.4495 3.7932 1.1149 H 1 UNL11 0.1350 74 H -1.5114 -2.7640 2.5149 H 1 UNL11 0.1330 75 H -0.3761 -3.2620 1.2777 H 1 UNL11 0.1519 76 H -1.1643 -4.6336 -2.9158 H 1 UNL11 0.1264 77 H -2.1741 -4.7794 -1.4862 H 1 UNL11 0.1350 78 H 3.5997 -1.4119 -4.1155 H 1 UNL11 0.1264 79 H 4.4420 -1.6598 -2.5844 H 1 UNL11 0.1290 80 H 4.6738 3.0518 -1.1030 H 1 UNL11 0.1315 81 H 5.0983 3.1373 -2.8150 H 1 UNL11 0.1282 82 H 2.6460 3.3405 4.0526 H 1 UNL11 0.1264 83 H 3.3322 3.8923 2.5223 H 1 UNL11 0.1290 84 H 5.5262 -0.3262 1.1386 H 1 UNL11 0.1316 85 H 5.8917 -0.2019 2.8606 H 1 UNL11 0.1280 86 H -6.6333 0.3659 0.9500 H 1 UNL11 0.1275 87 H -6.5788 0.2449 -0.8098 H 1 UNL11 0.1285 88 H -4.6006 4.6497 -1.8384 H 1 UNL11 0.1314 89 H -5.7775 5.0080 -0.5703 H 1 UNL11 0.1282 90 H -2.5680 -5.0104 2.5669 H 1 UNL11 0.1274 91 H -0.8309 -5.1074 2.8653 H 1 UNL11 0.1277 92 H 0.7593 -5.6775 -1.7644 H 1 UNL11 0.1323 93 H -0.6639 -6.7208 -1.6880 H 1 UNL11 0.1268 94 H 4.0121 1.0124 -4.0500 H 1 UNL11 0.1378 95 H 5.5214 0.1364 -3.8879 H 1 UNL11 0.1210 96 H 4.4037 0.6131 -1.1947 H 1 UNL11 0.1452 97 H 5.9729 1.0596 -1.8408 H 1 UNL11 0.1237 98 H 4.0182 1.2990 4.0312 H 1 UNL11 0.1374 99 H 5.0376 2.7147 3.8598 H 1 UNL11 0.1215 100 H 4.2379 1.7741 1.1723 H 1 UNL11 0.1457 101 H 5.8455 2.0358 1.8256 H 1 UNL11 0.1239 102 H -6.1717 2.7894 0.8762 H 1 UNL11 0.1390 103 H -7.5730 2.3977 -0.1052 H 1 UNL11 0.1229 104 H -5.1423 2.2510 -1.7852 H 1 UNL11 0.1465 105 H -6.6032 3.1951 -2.0232 H 1 UNL11 0.1238 106 H -2.2849 -5.7937 0.2377 H 1 UNL11 0.1396 107 H -1.5854 -6.9342 1.3715 H 1 UNL11 0.1227 108 H 0.4771 -4.9684 0.5727 H 1 UNL11 0.1477 109 H 0.5142 -6.7219 0.4758 H 1 UNL11 0.1224 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 2 6 1 6 3 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 6 11 1 11 6 42 1 12 7 12 1 13 7 13 1 14 7 43 1 15 8 14 1 16 8 15 1 17 8 44 1 18 9 16 1 19 9 17 1 20 9 45 1 21 10 18 1 22 10 46 1 23 10 47 1 24 11 19 1 25 11 48 1 26 11 49 1 27 12 20 1 28 12 50 1 29 12 51 1 30 13 21 1 31 13 52 1 32 13 53 1 33 14 22 1 34 14 54 1 35 14 55 1 36 15 23 1 37 15 56 1 38 15 57 1 39 16 24 1 40 16 58 1 41 16 59 1 42 17 25 1 43 17 60 1 44 17 61 1 45 18 26 1 46 18 62 1 47 18 63 1 48 19 27 1 49 19 64 1 50 19 65 1 51 20 28 1 52 20 66 1 53 20 67 1 54 21 29 1 55 21 68 1 56 21 69 1 57 22 30 1 58 22 70 1 59 22 71 1 60 23 31 1 61 23 72 1 62 23 73 1 63 24 32 1 64 24 74 1 65 24 75 1 66 25 33 1 67 25 76 1 68 25 77 1 69 26 34 1 70 26 78 1 71 26 79 1 72 27 35 1 73 27 80 1 74 27 81 1 75 28 36 1 76 28 82 1 77 28 83 1 78 29 37 1 79 29 84 1 80 29 85 1 81 30 38 1 82 30 86 1 83 30 87 1 84 31 39 1 85 31 88 1 86 31 89 1 87 32 40 1 88 32 90 1 89 32 91 1 90 33 41 1 91 33 92 1 92 33 93 1 93 34 35 1 94 34 94 1 95 34 95 1 96 35 96 1 97 35 97 1 98 36 37 1 99 36 98 1 100 36 99 1 101 37 100 1 102 37 101 1 103 38 39 1 104 38 102 1 105 38 103 1 106 39 104 1 107 39 105 1 108 40 41 1 109 40 106 1 110 40 107 1 111 41 108 1 112 41 109 1