0 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 10.4834 8.40416 9.74255 11.4087 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 10.4834 8.40416 7.08342 11.4087 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 10.6504 7.33768 4.32034 5.90981 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 15.919 9.01567 8.67951 13.2265 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 15.2997 7.29868 8.52463 13.719 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 10.1053 9.83618 10.4442 11.3298 8.95682 6.18002 4.54282 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.1053 9.83618 9.49077 11.3298 8.95682 8.38399 4.54282 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 9.25208 8.24062 5.3525 3.85789 6.73347 9.64444 7.0313 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 9.83775 5.82428 8.84665 9.25208 8.24062 11.0387 3.85789 6.73347 4.36133 7.0313 numMergedOcc 0
9 mol 59 unq 2 iso 0 dist 9.83775 10.1226 8.25513 9.25208 8.24062 9.15805 3.85789 6.73347 6.66692 7.0313 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 6.85223 8.36431 10.9701 4.92054 8.91313 17.5889 10.2475 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 6.85223 8.36431 10.9701 6.7197 8.16392 10.8304 6.94695 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 7.11695 9.54167 9.64443 6.85223 8.36431 12.4284 4.92054 8.91313 13.3881 10.2475 numMergedOcc 0
13 mol 92 unq 3 iso 0 dist 7.11695 9.54167 9.64443 6.85223 8.36431 12.4284 6.7197 8.16392 5.90097 6.94695 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 4.71183 6.58204 10.9608 12.5859 7.01812 5.80144 10.0891 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 4.71183 6.58204 5.01145 12.5859 7.01812 8.4128 10.0891 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 7.689 10.3954 9.35224 4.71183 6.58204 5.69137 12.5859 7.01812 10.0456 10.0891 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 10.6748 8.30845 12.2861 10.0891 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 9.64716 8.76378 15.5385 4.44538 numMergedOcc 0
19 mol 100 unq 5 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 10.6748 8.30845 5.80144 10.0891 numMergedOcc 0
20 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 9.64716 8.76378 12.3577 4.44538 numMergedOcc 0
21 mol 100 unq 7 iso 0 dist 9.22737 4.95357 6.56369 10.2716 7.75343 5.69137 10.6748 8.30845 10.0456 10.0891 numMergedOcc 0
22 mol 100 unq 8 iso 0 dist 9.22737 4.95357 6.56369 10.2716 7.75343 5.69137 9.64716 8.76378 4.97045 4.44538 numMergedOcc 0
23 mol 100 unq 9 iso 0 dist 9.22737 5.05858 9.30209 10.2716 7.75343 9.21622 10.6748 8.30845 6.70236 10.0891 numMergedOcc 0
24 mol 100 unq 10 iso 0 dist 9.22737 5.05858 9.30209 10.2716 7.75343 9.21622 9.64716 8.76378 10.7791 4.44538 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 7.32599 5.87358 9.46098 13.7792 7.80523 7.74599 6.89298 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 12.3839 7.80532 7.41674 14.1488 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 12.3839 7.80532 9.87376 14.1488 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 7.18433 9.39829 7.20191 7.30555 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 9.06702 13.1207 9.31746 10.9586 6.73313 11.1088 7.42577 6.73956 7.68794 5.8726 numMergedOcc 0
30 mol 182 unq 1 iso 0 dist 9.06702 13.1207 9.31746 10.9586 6.73313 11.1088 4.49268 7.09394 9.37404 10.7622 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 12.7783 5.90931 5.09262 4.29037 9.68728 7.67571 11.145 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 12.7783 5.90931 12.9483 4.29037 9.68728 10.8573 11.145 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 15.3503 9.19704 8.66809 5.63231 6.03688 8.15057 14.6029 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 15.3503 9.19704 6.23291 5.63231 6.03688 12.4957 14.6029 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 8.52924 9.67882 7.80463 15.3503 9.19704 13.231 5.63231 6.03688 6.09749 14.6029 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 10.024 6.25105 10.3337 6.30638 9.81425 4.3717 13.0631 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 10.024 6.25105 11.216 6.30638 9.81425 4.46561 13.0631 numMergedOcc 0
38 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 10.024 6.25105 11.4315 6.30638 9.81425 10.641 13.0631 numMergedOcc 0
39 mol 249 unq 0 iso 0 dist 6.26142 5.59015 7.57994 10.0505 8.83735 5.23473 9.55793 5.48118 10.7772 10.639 numMergedOcc 0
40 mol 249 unq 1 iso 0 dist 6.26142 4.77325 6.18582 10.0505 8.83735 7.38675 9.55793 5.48118 7.04666 10.639 numMergedOcc 0
41 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 6.7858 8.8673 10.1236 4.90579 9.0975 5.65568 5.50768 numMergedOcc 0
42 mol 282 unq 1 iso 0 dist 7.71088 11.2986 8.76532 6.7858 8.8673 8.14825 4.90579 9.0975 8.12478 5.50768 numMergedOcc 0
43 mol 282 unq 2 iso 0 dist 7.71088 7.46064 6.33524 6.7858 8.8673 7.36881 4.90579 9.0975 5.0324 5.50768 numMergedOcc 0
