0 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 7.06216 7.06308 4.71384 6.96797 5.24762 7.2846 6.34173 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.73896 5.84852 6.43774 7.06216 7.06308 4.71384 12.0134 5.48601 10.8302 9.43442 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.96797 5.84852 7.2846 7.06216 6.34173 4.71384 9.73896 5.24762 6.43774 7.06308 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 6.96797 5.84852 7.2846 7.06216 6.34173 4.71384 12.0134 5.101 10.8302 9.43442 numMergedOcc 0
4 mol 45 unq 4 iso 0 dist 6.96797 6.5822 7.58835 7.06216 6.34173 5.67689 9.73896 5.24762 11.2563 7.06308 numMergedOcc 0
5 mol 45 unq 5 iso 0 dist 6.96797 6.5822 7.58835 7.06216 6.34173 5.67689 12.0134 5.101 11.5838 9.43442 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.81252 5.61542 7.35754 6.83232 7.52743 4.77056 13.845 5.59517 10.1937 8.71128 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.61066 6.06993 4.99221 10.3807 6.50039 5.60178 16.2101 10.4294 11.8322 6.87861 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 8.49634 6.91348 6.19596 12.0425 6.63273 7.12972 8.6243 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 17.082 8.6355 10.1448 14.8658 8.80819 11.9139 8.79571 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 17.082 8.6355 10.1448 13.131 5.00817 9.5126 5.42582 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 17.082 8.6355 5.41704 14.8658 8.80819 8.94367 8.79571 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.5778 13.5276 6.49416 17.082 8.6355 5.41704 13.131 5.00817 6.37586 5.42582 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.56095 6.64179 6.23493 12.9022 7.16254 6.3845 10.1181 5.71071 7.46303 9.14392 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 9.56095 6.64179 6.23493 10.5066 9.86313 5.86939 10.1181 5.71071 7.46303 7.51198 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 6.99882 6.25105 10.3337 7.17987 5.88703 12.9605 7.85175 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 6.99882 6.25105 11.216 7.17987 5.88703 9.45496 7.85175 numMergedOcc 0
17 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 6.99882 6.25105 11.4315 7.17987 5.88703 6.7625 7.85175 numMergedOcc 0
18 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 7.22134 6.25105 10.3337 13.9487 5.88703 12.9605 7.85175 numMergedOcc 0
19 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 7.22134 6.25105 11.216 13.9487 5.88703 9.45496 7.85175 numMergedOcc 0
20 mol 234 unq 5 iso 0 dist 9.70004 17.5883 9.36357 7.22134 6.25105 11.4315 13.9487 5.88703 6.7625 7.85175 numMergedOcc 0
21 mol 234 unq 6 iso 0 dist 7.17987 14.7629 9.45496 6.99882 7.85175 11.216 8.58958 5.88703 6.56247 6.25105 numMergedOcc 0
22 mol 234 unq 7 iso 0 dist 7.17987 13.5847 6.7625 6.99882 7.85175 11.4315 8.58958 5.88703 9.36357 6.25105 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 9.3775 7.17676 11.8759 12.1533 7.28249 9.81562 5.34718 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 6.0087 12.338 6.84306 9.3775 7.17676 11.3552 12.1533 7.28249 7.68742 5.34718 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 6.0087 12.431 9.99038 9.3775 7.17676 6.04825 12.1533 7.28249 6.27581 5.34718 numMergedOcc 0
26 mol 236 unq 3 iso 0 dist 6.0087 8.71933 9.78037 9.3775 7.17676 12.6468 12.1533 7.28249 13.499 5.34718 numMergedOcc 0
27 mol 236 unq 4 iso 0 dist 6.0087 5.81354 8.35971 9.3775 7.17676 6.40312 12.1533 7.28249 11.2141 5.34718 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 9.45521 8.83735 5.23473 9.0157 8.34718 11.7594 8.96876 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 9.14351 9.40115 6.18582 9.45521 8.83735 7.38675 9.0157 8.34718 12.2913 8.96876 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 6.97104 12.2532 9.8993 9.95978 8.76347 7.54851 14.9941 8.88126 10.1216 9.38971 numMergedOcc 0
31 mol 276 unq 1 iso 0 dist 6.97104 12.2532 9.8993 9.95978 8.76347 7.54851 9.40572 5.50479 13.1345 8.71541 numMergedOcc 0
32 mol 276 unq 2 iso 0 dist 6.97104 5.58984 6.87396 9.95978 8.76347 6.4102 14.9941 8.88126 12.3012 9.38971 numMergedOcc 0
33 mol 276 unq 3 iso 0 dist 6.97104 5.58984 6.87396 9.95978 8.76347 6.4102 9.40572 5.50479 10.1395 8.71541 numMergedOcc 0
34 mol 276 unq 4 iso 0 dist 8.63281 12.388 9.8993 12.5917 8.76347 7.54851 16.8535 8.88126 10.1216 9.38971 numMergedOcc 0
35 mol 276 unq 5 iso 0 dist 8.63281 12.388 9.8993 12.5917 8.76347 7.54851 12.6761 5.50479 13.1345 8.71541 numMergedOcc 0
36 mol 276 unq 6 iso 0 dist 8.63281 6.58819 6.87396 12.5917 8.76347 6.4102 16.8535 8.88126 12.3012 9.38971 numMergedOcc 0
37 mol 276 unq 7 iso 0 dist 8.63281 6.58819 6.87396 12.5917 8.76347 6.4102 12.6761 5.50479 10.1395 8.71541 numMergedOcc 0
