0 mol 26 unq 0 iso 0 dist 6.15893 5.497 4.36675 11.3644 7.22361 11.4325 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.33027 7.32707 6.47508 4.79 8.2946 9.25346 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.33027 7.90574 9.35568 4.79 8.2946 11.4519 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.2946 9.25346 6.47508 4.79 9.33027 7.32707 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.32707 9.33027 6.47508 4.79 9.25346 8.2946 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.32707 7.90574 5.79796 4.79 9.25346 11.4519 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 9.25346 8.2946 6.47508 4.79 7.32707 9.33027 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.21995 9.62637 5.69343 5.79982 7.70625 6.01423 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 9.62637 7.21995 5.69343 5.79982 6.01423 7.70625 numMergedOcc 0
9 mol 45 unq 2 iso 0 dist 7.70625 6.01423 5.69343 5.79982 7.21995 9.62637 numMergedOcc 0
10 mol 45 unq 3 iso 0 dist 6.01423 7.70625 5.69343 5.79982 9.62637 7.21995 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 7.2268 9.69219 5.17492 8.12939 8.31175 11.679 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 8.31175 9.28624 6.04216 8.12939 7.2268 12.484 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 5.39745 7.1539 6.34272 5.06359 6.72712 10.8245 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.25566 7.31037 6.33946 7.41037 6.63171 12.7865 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 4.25566 7.31037 6.33946 6.97263 7.67273 11.4979 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 7.55196 9.80845 6.56063 7.63368 9.0529 13.3276 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 8.52082 6.72852 7.73341 7.97065 5.9032 10.4588 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 6.26365 7.04177 4.39517 7.48559 9.19117 11.2844 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 6.99693 5.4997 6.75531 6.79946 8.99988 10.5485 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.94068 7.22019 9.00021 9.35875 7.43663 9.28101 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 7.22019 7.94068 9.00021 9.51353 9.25517 12.2132 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.90076 6.62002 6.25098 12.6844 6.87131 9.69818 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.90076 6.62002 6.25098 10.9258 8.09718 6.73446 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 6.87131 8.81629 4.34277 12.6844 8.90076 12.7938 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 6.87131 8.81629 4.34277 5.38691 8.09718 10.5618 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 6.87131 9.69818 6.25098 12.6844 8.90076 6.62002 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 6.87131 9.69818 6.25098 5.38691 8.09718 6.73446 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 8.09718 6.73446 6.25098 10.9258 8.90076 6.62002 numMergedOcc 0
29 mol 238 unq 7 iso 0 dist 8.09718 6.73446 6.25098 5.38691 6.87131 9.69818 numMergedOcc 0
30 mol 238 unq 8 iso 0 dist 6.62002 8.90076 6.25098 12.6844 9.69818 6.87131 numMergedOcc 0
31 mol 238 unq 9 iso 0 dist 6.62002 8.90076 6.25098 10.9258 6.73446 8.09718 numMergedOcc 0
32 mol 238 unq 10 iso 0 dist 9.69818 8.81629 8.96242 12.6844 6.62002 12.7938 numMergedOcc 0
33 mol 238 unq 11 iso 0 dist 9.69818 8.81629 8.96242 5.38691 6.73446 10.5618 numMergedOcc 0
34 mol 238 unq 12 iso 0 dist 9.69818 6.87131 6.25098 12.6844 6.62002 8.90076 numMergedOcc 0
35 mol 238 unq 13 iso 0 dist 9.69818 6.87131 6.25098 5.38691 6.73446 8.09718 numMergedOcc 0
36 mol 238 unq 14 iso 0 dist 6.73446 8.09718 6.25098 10.9258 6.62002 8.90076 numMergedOcc 0
37 mol 238 unq 15 iso 0 dist 6.73446 8.09718 6.25098 5.38691 9.69818 6.87131 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 7.82157 9.18069 8.52019 7.20835 5.80452 11.0786 numMergedOcc 0
