0 mol 72 unq 0 iso 0 dist 5.97144 10.0936 6.7212 7.54321 8.16985 7.47371 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 5.97144 10.0936 6.7212 5.2819 7.81344 9.67587 numMergedOcc 0
2 mol 72 unq 2 iso 0 dist 5.97144 10.0936 6.7212 3.53164 5.49421 7.07356 numMergedOcc 0
3 mol 72 unq 3 iso 0 dist 5.97144 9.19838 9.08821 7.54321 8.16985 8.59184 numMergedOcc 0
4 mol 72 unq 4 iso 0 dist 5.97144 9.19838 9.08821 5.2819 7.81344 10.04 numMergedOcc 0
5 mol 72 unq 5 iso 0 dist 5.97144 9.19838 9.08821 3.53164 5.49421 5.84044 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.66116 10.4922 8.91446 10.6655 9.89583 4.93402 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.72842 9.54828 8.96916 4.42177 5.30117 6.30222 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.72842 6.20162 5.70279 4.42177 5.30117 5.47563 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.06422 12.3674 8.88255 5.74561 6.88175 6.9194 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.06422 12.3674 8.88255 12.392 9.98931 13.3292 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 8.06422 12.3674 8.88255 13.8252 8.47642 10.1294 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.51581 5.56707 9.79004 5.39761 4.79003 6.9945 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.51581 6.63321 8.43069 5.39761 4.79003 4.19723 numMergedOcc 0
14 mol 144 unq 0 iso 0 dist 9.17163 13.0525 9.81485 4.9743 6.03283 8.65006 numMergedOcc 0
15 mol 144 unq 1 iso 0 dist 9.17163 13.0525 9.81485 5.03085 9.05357 8.70426 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 7.16289 8.64463 8.34737 7.62658 6.91511 4.55687 numMergedOcc 0
17 mol 154 unq 1 iso 0 dist 7.16289 4.65641 8.5163 7.62658 6.91511 4.6764 numMergedOcc 0
18 mol 154 unq 2 iso 0 dist 9.3164 10.0762 8.34737 12.7211 6.91511 4.55687 numMergedOcc 0
19 mol 154 unq 3 iso 0 dist 9.3164 12.5116 8.5163 12.7211 6.91511 4.6764 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 7.68999 10.705 8.8557 9.98933 8.3932 4.17276 numMergedOcc 0
21 mol 229 unq 1 iso 0 dist 7.68999 5.6419 5.00457 9.98933 8.3932 4.92403 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.73405 5.27652 4.87108 9.59406 5.41453 6.82305 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.73405 6.88036 7.64276 9.59406 5.41453 5.71717 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 5.16952 5.58984 8.79189 9.98339 8.51449 8.26321 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 5.04414 6.58819 8.79189 7.37489 8.51449 8.26321 numMergedOcc 0
