0 mol 15 unq 0 iso 0 dist 9.09251 7.88306 9.11751 12.1533 8.37378 6.19131 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.52643 11.5903 7.7933 12.0216 5.94373 6.90629 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 5.41357 6.10515 7.7933 7.07433 5.94373 6.90629 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.61089 7.71809 9.74201 5.37898 5.33546 10.7605 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.61089 9.41403 8.17967 5.37898 5.33546 6.49291 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 8.64686 15.6024 9.74201 8.69896 5.33546 10.7605 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 8.64686 13.7118 8.17967 8.69896 5.33546 6.49291 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 6.61973 10.3223 9.49798 10.4136 6.74026 6.10081 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 6.61973 12.8624 8.31955 10.4136 6.74026 4.94926 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.52061 9.66773 9.50776 5.9261 6.52844 6.6028 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 8.94921 11.703 5.8277 15.2897 9.04575 6.437 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 7.77669 7.81164 5.8277 5.62785 9.04575 6.437 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 5.32865 10.7118 9.80032 5.96025 7.08651 7.11675 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 5.32865 10.7118 9.80032 5.19485 6.78887 6.638 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.40718 10.602 9.23089 14.1039 9.2933 5.60306 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.40718 10.602 9.23089 5.39949 8.77781 6.05477 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.72718 9.77203 7.46024 14.2953 8.91143 13.1178 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.91838 8.54569 7.82212 6.10456 4.65126 4.47395 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 5.61326 7.60926 9.40031 8.18632 9.854 4.65391 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.03925 11.3098 7.26162 5.93235 6.84722 6.957 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.46734 9.64214 8.64747 11.7623 8.99878 5.2908 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 8.46734 5.91397 5.91933 11.7623 8.99878 5.91881 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 8.86185 7.57139 6.98781 5.86546 8.87182 7.4465 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 8.86185 7.57139 6.98781 8.35939 5.95622 6.76677 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 7.89067 11.0863 9.45903 4.45246 5.92578 7.73342 numMergedOcc 0
25 mol 250 unq 1 iso 0 dist 7.89067 9.98799 8.51531 4.45246 5.92578 5.66455 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.57274 4.92263 9.77741 12.3617 7.87648 10.4122 numMergedOcc 0
