0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 9.60499 10.5551 6.02702 11.0773 4.87279 8.72114 11.8172 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.5706 8.43473 6.04832 11.0773 4.87279 8.72114 9.60499 10.5551 6.02702 11.8172 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.28925 5.03847 6.04832 10.6581 10.5551 6.02702 10.5461 4.87279 8.72114 11.8172 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 6.28925 5.03847 6.04832 10.5461 4.87279 8.72114 10.6581 10.5551 6.02702 11.8172 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.70159 13.8829 6.04832 18.3807 10.5551 6.02702 7.10621 4.87279 8.72114 11.8172 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 8.70159 13.8829 6.04832 7.10621 4.87279 8.72114 18.3807 10.5551 6.02702 11.8172 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 11.938 5.72062 7.32257 10.069 7.6565 6.55811 6.14147 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 7.47838 11.8617 7.2707 10.069 7.6565 6.55811 11.938 5.72062 7.32257 6.14147 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 7.47838 11.8617 7.2707 11.938 5.72062 7.32257 13.6105 12.3746 8.64915 10.5747 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 7.47838 11.8617 7.2707 13.6105 12.3746 8.64915 11.938 5.72062 7.32257 10.5747 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 7.47838 11.8617 7.2707 10.069 7.6565 6.55811 13.6105 12.3746 8.64915 5.06358 numMergedOcc 0
11 mol 9 unq 1 iso 1 dist 7.47838 11.8617 7.2707 13.6105 12.3746 8.64915 10.069 7.6565 6.55811 5.06358 numMergedOcc 0
12 mol 9 unq 2 iso 0 dist 7.47838 9.55673 8.99816 10.069 7.6565 7.36018 13.6105 12.3746 8.17347 5.06358 numMergedOcc 0
13 mol 9 unq 2 iso 1 dist 7.47838 9.55673 8.99816 13.6105 12.3746 8.17347 10.069 7.6565 7.36018 5.06358 numMergedOcc 0
14 mol 15 unq 0 iso 0 dist 7.876 4.29582 9.41935 9.88835 14.8121 5.89412 8.38064 5.88545 7.07399 11.0528 numMergedOcc 0
15 mol 15 unq 0 iso 1 dist 7.876 4.29582 9.41935 8.38064 5.88545 7.07399 9.88835 14.8121 5.89412 11.0528 numMergedOcc 0
16 mol 15 unq 1 iso 0 dist 8.63502 8.72342 9.41935 14.206 14.8121 5.89412 10.4158 5.88545 7.07399 11.0528 numMergedOcc 0
17 mol 15 unq 1 iso 1 dist 8.63502 8.72342 9.41935 10.4158 5.88545 7.07399 14.206 14.8121 5.89412 11.0528 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.07868 4.65335 8.60839 7.66905 11.3372 7.54568 5.73196 4.60756 9.39864 10.1164 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.07868 4.65335 8.60839 5.73196 4.60756 9.39864 7.66905 11.3372 7.54568 10.1164 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 4.5985 5.42531 6.84692 10.1489 8.07089 7.01812 13.2001 12.8256 8.30845 5.88134 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 4.5985 5.42531 6.84692 13.2001 12.8256 8.30845 10.1489 8.07089 7.01812 5.88134 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 8.20656 8.4128 6.84692 7.17106 8.07089 7.01812 10.5134 12.8256 8.30845 5.88134 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 8.20656 8.4128 6.84692 10.5134 12.8256 8.30845 7.17106 8.07089 7.01812 5.88134 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.64695 12.538 6.49688 13.268 5.47259 6.16242 12.6651 4.70102 5.87634 7.81217 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 9.64695 12.538 6.49688 12.6651 4.70102 5.87634 13.268 5.47259 6.16242 7.81217 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 4.51266 4.54648 6.49688 6.29155 5.47259 6.16242 6.80239 4.70102 5.87634 7.81217 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 4.51266 4.54648 6.49688 6.80239 4.70102 5.87634 6.29155 5.47259 6.16242 7.81217 numMergedOcc 0
28 mol 135 unq 0 iso 0 dist 6.67623 10.2752 7.83735 15.7277 10.5706 7.90563 17.3128 11.8378 8.97655 6.57193 numMergedOcc 0
29 mol 135 unq 0 iso 1 dist 6.67623 10.2752 7.83735 17.3128 11.8378 8.97655 15.7277 10.5706 7.90563 6.57193 numMergedOcc 0
30 mol 170 unq 0 iso 0 dist 6.36868 9.275 8.20406 11.8841 6.22427 9.10511 12.8281 9.77705 6.35982 6.52462 numMergedOcc 0
31 mol 170 unq 0 iso 1 dist 6.36868 9.275 8.20406 12.8281 9.77705 6.35982 11.8841 6.22427 9.10511 6.52462 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.8949 13.3834 6.21939 14.1837 6.64982 6.99315 19.1491 12.3471 9.60163 14.5975 numMergedOcc 0
33 mol 237 unq 0 iso 1 dist 8.8949 13.3834 6.21939 19.1491 12.3471 9.60163 14.1837 6.64982 6.99315 14.5975 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.14531 5.63675 7.05518 10.5548 8.46375 9.63959 14.3043 7.98112 9.96262 12.4198 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 8.14531 5.63675 7.05518 14.3043 7.98112 9.96262 10.5548 8.46375 9.63959 12.4198 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 8.14531 5.63675 7.05518 10.5548 8.46375 9.63959 6.60405 4.88549 7.21311 12.321 numMergedOcc 0
37 mol 258 unq 1 iso 1 dist 8.14531 5.63675 7.05518 6.60405 4.88549 7.21311 10.5548 8.46375 9.63959 12.321 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 8.14531 5.63675 7.05518 14.3043 7.98112 9.96262 6.60405 4.88549 7.21311 10.7374 numMergedOcc 0
39 mol 258 unq 1 iso 1 dist 8.14531 5.63675 7.05518 6.60405 4.88549 7.21311 14.3043 7.98112 9.96262 10.7374 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 13.3579 9.75887 8.83865 13.4294 7.29345 9.18157 5.96724 numMergedOcc 0
41 mol 273 unq 0 iso 1 dist 9.82018 4.60101 6.83684 13.4294 7.29345 9.18157 13.3579 9.75887 8.83865 5.96724 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 6.92434 5.29529 5.0002 7.56915 5.87456 8.52587 11.3168 6.38211 6.39866 11.3308 numMergedOcc 0
43 mol 274 unq 0 iso 1 dist 6.92434 5.29529 5.0002 11.3168 6.38211 6.39866 7.56915 5.87456 8.52587 11.3308 numMergedOcc 0
