0 mol 33 unq 0 iso 0 dist 8.35897 9.05783 7.54108 6.19066 8.94569 4.21721 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 7.07917 5.68212 10.4266 numMergedOcc 0
2 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 7.07917 5.68212 7.34738 numMergedOcc 0
3 mol 83 unq 2 iso 0 dist 9.90769 9.4696 5.39805 7.07917 5.68212 6.63513 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 7.09179 10.0549 9.62357 5.27853 6.74026 5.57288 numMergedOcc 0
5 mol 116 unq 1 iso 0 dist 9.31875 16.0497 9.62357 11.0498 6.74026 5.57288 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.78572 3.84554 8.17814 11.3235 7.7461 10.009 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 7.78572 3.84554 8.17814 9.51205 9.53985 6.31817 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 7.78572 7.90816 9.14434 11.3235 7.7461 15.9635 numMergedOcc 0
9 mol 130 unq 3 iso 0 dist 7.78572 7.90816 9.14434 9.51205 9.53985 16.1901 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 7.94257 4.22688 6.14952 4.43511 6.47434 6.27901 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.89646 10.7499 5.47265 11.7737 7.08651 4.31702 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.89646 10.7499 5.47265 15.5134 6.78887 6.78733 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 9.9332 9.53448 5.47265 8.8506 7.08651 4.31702 numMergedOcc 0
14 mol 147 unq 3 iso 0 dist 9.9332 9.53448 5.47265 13.6758 6.78887 6.78733 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 8.27545 11.9796 9.78743 5.97774 8.29166 7.02086 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 8.27545 11.9796 9.78743 15.3045 8.14859 14.0195 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 8.27545 11.9796 9.78743 11.5774 5.62421 11.153 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.77947 8.12353 8.12934 6.79948 9.78347 4.37504 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.70738 10.9426 7.15878 8.9959 8.99609 10.2859 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 6.70738 10.9426 7.15878 6.56772 8.09656 13.8807 numMergedOcc 0
21 mol 239 unq 2 iso 0 dist 8.55314 12.2142 7.15878 12.8119 8.99609 10.2859 numMergedOcc 0
22 mol 239 unq 3 iso 0 dist 8.55314 12.2142 7.15878 10.0385 8.09656 13.8807 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.60091 4.32107 8.6336 4.35114 9.18477 5.40441 numMergedOcc 0
