0 mol 27 unq 0 iso 0 dist 8.91798 8.69069 8.3189 11.1404 8.69235 6.32509 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.67055 7.7328 5.02965 5.66337 4.60687 6.32509 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 8.54422 8.69069 7.49305 11.1404 5.07229 6.32509 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.25236 7.7328 7.49305 5.66337 5.07229 6.32509 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 8.61714 6.83136 4.7864 10.6065 5.34876 6.05264 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.1024 5.92534 6.22059 13.0992 4.57548 9.13248 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 9.1024 5.92534 6.22059 8.61295 8.00722 9.03754 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.40347 4.80402 5.25894 10.3526 4.21327 7.28945 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 7.5179 5.91574 6.00793 14.7628 9.13316 9.50912 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 7.5179 5.91574 6.00793 7.35339 4.4 5.74367 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 8.01303 6.52044 6.00793 5.32056 9.13316 9.50912 numMergedOcc 0
11 mol 167 unq 3 iso 0 dist 8.01303 6.52044 6.00793 9.52659 4.4 5.74367 numMergedOcc 0
12 mol 187 unq 0 iso 0 dist 5.95841 5.50745 5.14547 9.90752 4.75665 8.38922 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.59762 8.61424 6.02521 11.9675 5.77737 9.94807 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 9.90909 5.73912 7.91491 8.64213 4.31175 4.79504 numMergedOcc 0
15 mol 276 unq 0 iso 0 dist 9.63988 5.90125 6.11207 8.63212 4.54046 8.18835 numMergedOcc 0
16 mol 276 unq 1 iso 0 dist 9.63988 5.90125 6.11207 13.276 6.22177 9.35239 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 7.6123 5.51771 8.77242 11.091 6.87474 8.74892 numMergedOcc 0
