0 mol 8 unq 0 iso 0 dist 8.6405 12.7577 7.77271 13.3263 8.93691 5.41248 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.50293 17.3042 9.98549 18.2838 10.9726 9.21102 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 8.50293 17.3042 9.98549 20.4985 14.1513 6.84257 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.91255 12.8867 8.68888 12.7519 4.51374 7.77128 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 7.14313 11.2541 7.49283 12.7532 6.78257 7.93145 numMergedOcc 0
5 mol 75 unq 1 iso 0 dist 8.26819 7.91223 7.49283 4.76466 6.78257 7.93145 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 9.46619 8.61334 8.86001 16.0978 9.40959 9.39801 numMergedOcc 0
7 mol 99 unq 1 iso 0 dist 9.46619 8.61334 8.86001 8.68674 6.83905 4.82346 numMergedOcc 0
8 mol 99 unq 2 iso 0 dist 9.46619 8.61334 8.86001 12.3208 8.5835 8.89165 numMergedOcc 0
9 mol 99 unq 3 iso 0 dist 9.46619 12.2155 9.36749 16.0978 9.40959 6.02154 numMergedOcc 0
10 mol 99 unq 4 iso 0 dist 9.46619 12.2155 9.36749 8.68674 6.83905 8.07233 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 5.40251 7.32877 6.29125 13.3785 10.9472 6.55217 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 5.40251 7.32877 6.29125 12.0417 8.08387 7.21686 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 5.00266 6.40358 8.57161 10.8839 9.44963 6.89587 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.76325 8.8161 8.39753 6.23677 4.76056 8.96263 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.76325 8.8161 8.39753 10.0534 4.1117 7.35677 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 8.85101 3.92881 8.39753 7.31608 4.76056 8.96263 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 8.85101 3.92881 8.39753 7.96226 4.1117 7.35677 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 9.91303 3.61254 7.39392 11.1464 5.09026 9.63694 numMergedOcc 0
19 mol 228 unq 1 iso 0 dist 9.91303 3.61254 7.39392 11.1196 7.86738 8.06909 numMergedOcc 0
20 mol 228 unq 2 iso 0 dist 4.55699 7.41837 7.39392 9.51567 5.09026 9.63694 numMergedOcc 0
21 mol 228 unq 3 iso 0 dist 4.55699 7.41837 7.39392 10.2451 7.86738 8.06909 numMergedOcc 0
22 mol 228 unq 4 iso 0 dist 7.75418 7.41837 9.52597 9.51567 6.78075 9.63694 numMergedOcc 0
23 mol 228 unq 5 iso 0 dist 7.75418 7.41837 9.52597 10.2451 5.07398 8.06909 numMergedOcc 0
24 mol 228 unq 6 iso 0 dist 4.42593 7.17017 7.56863 9.46473 5.19012 9.64659 numMergedOcc 0
25 mol 228 unq 7 iso 0 dist 4.42593 7.17017 7.56863 9.9685 7.98833 8.22515 numMergedOcc 0
26 mol 228 unq 8 iso 0 dist 7.33564 7.17017 9.49938 9.46473 6.75223 9.64659 numMergedOcc 0
27 mol 228 unq 9 iso 0 dist 7.33564 7.17017 9.49938 9.9685 5.16211 8.22515 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 4.57548 10.1043 9.10967 8.86185 4.81796 7.80073 numMergedOcc 0
29 mol 247 unq 0 iso 0 dist 9.70618 17.582 9.88695 17.4451 9.91298 8.64941 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 7.06971 6.62729 6.87981 5.37747 4.60751 5.34803 numMergedOcc 0
