0 mol 14 unq 0 iso 0 dist 8.64855 5.39895 7.28563 11.3463 8.84686 8.29358 11.8313 4.53725 8.51112 9.6726 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 6.82841 5.65084 5.34733 9.2978 10.1903 6.41856 9.45949 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 6.59001 6.66407 11.0512 8.90024 5.06502 8.47617 10.0168 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 5.00932 8.99509 6.59001 6.66407 11.0512 6.78532 5.89973 5.73331 10.9975 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 6.84521 5.00932 8.99509 6.59001 6.66407 11.0512 11.377 11.1644 8.48694 16.3946 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 7.751 6.9103 5.68713 12.0244 8.62608 6.56664 9.69044 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 8.27156 11.2658 7.59416 7.751 6.9103 3.78856 12.0244 8.62608 9.96382 9.69044 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 8.85873 5.19804 5.25504 10.8883 5.51831 5.72671 7.3606 6.88931 7.84991 10.9748 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 12.4753 8.27883 3.84897 13.3871 6.59884 8.29852 7.7152 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 6.52247 5.75428 5.78182 13.3871 6.59884 8.29852 10.0848 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 5.89506 8.57395 12.5746 13.3871 6.59884 8.29852 14.2618 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 6.86713 11.5826 8.13273 6.40728 9.85409 16.9294 13.3871 6.59884 8.29852 15.9129 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.94541 9.35663 8.75736 8.17498 9.00918 14.0091 10.5335 7.93571 6.32178 11.0651 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.94541 9.35663 8.75736 10.9758 7.99477 15.5753 10.5335 7.93571 6.32178 12.782 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 8.94541 4.4033 6.76166 8.17498 9.00918 9.88169 10.5335 7.93571 7.2977 11.0651 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 8.94541 4.4033 6.76166 10.9758 7.99477 11.8593 10.5335 7.93571 7.2977 12.782 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 7.30919 14.4662 8.75736 6.67639 9.00918 14.0091 10.3264 7.93571 6.32178 11.0651 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 7.30919 14.4662 8.75736 4.4987 7.99477 15.5753 10.3264 7.93571 6.32178 12.782 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 7.30919 12.021 6.76166 6.67639 9.00918 9.88169 10.3264 7.93571 7.2977 11.0651 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 7.30919 12.021 6.76166 4.4987 7.99477 11.8593 10.3264 7.93571 7.2977 12.782 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 5.23399 8.22569 12.2429 11.9596 5.45334 7.22234 10.9843 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 17.3901 9.08509 13.6867 9.39537 14.0328 8.39522 20.0719 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.97461 5.81253 5.99187 17.3901 9.08509 13.6867 8.89487 6.85126 9.93378 11.9549 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 6.94654 11.7816 9.93378 3.55929 9.06592 13.7872 13.7556 15.8898 8.39522 15.1958 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 6.94654 11.7816 9.93378 3.55929 9.06592 13.7872 11.7526 6.85126 5.99187 13.3867 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 8.89487 5.81253 9.93378 12.7433 9.06592 13.7872 9.39537 15.8898 8.39522 15.1958 numMergedOcc 0
26 mol 238 unq 5 iso 0 dist 8.89487 5.81253 9.93378 12.7433 9.06592 13.7872 8.97461 6.85126 5.99187 13.3867 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 11.091 7.10671 4.02386 16.3818 10.2411 9.39147 11.8754 numMergedOcc 0
28 mol 243 unq 1 iso 0 dist 7.80612 14.2037 8.69557 8.97902 8.67156 8.36019 16.3818 10.2411 9.39147 12.0019 numMergedOcc 0
