0 mol 4 unq 0 iso 0 dist 9.63758 10.7798 5.39008 6.88837 5.93454 6.00772 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02869 15.4291 9.28571 17.2554 8.50044 9.62459 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.02869 15.4291 9.28571 4.91115 7.11539 15.3822 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.02869 14.326 8.05125 17.2554 8.50044 9.89662 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.02869 14.326 8.05125 4.91115 7.11539 10.7937 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.35252 10.6637 9.79657 11.0398 9.48288 7.73842 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 12.0216 5.94373 6.11938 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 12.0216 5.94373 4.43442 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 7.07433 5.94373 6.11938 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 7.07433 5.94373 4.43442 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.2118 9.9201 7.9309 10.4465 5.68212 8.07204 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 7.18976 9.2094 8.03603 10.1583 9.5436 4.26006 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.16228 5.38744 9.56869 6.97204 8.39178 10.981 numMergedOcc 0
13 mol 174 unq 1 iso 0 dist 8.16228 5.38744 9.56869 9.84841 7.54918 13.6211 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.72718 11.315 9.60838 14.2953 8.91143 12.2214 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.2016 6.16078 5.83093 8.67274 8.29166 4.71967 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 6.2016 6.16078 5.83093 13.2917 8.14859 10.8213 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 6.2016 6.16078 5.83093 10.3343 5.62421 6.75301 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 7.86075 8.07672 7.62505 6.51466 9.60514 9.96095 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.52029 13.8486 9.23669 16.9386 7.59757 10.389 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 8.3451 9.37516 5.10109 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 5.86839 7.86936 7.41663 8.3451 9.37516 9.30128 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.05949 11.5037 8.50367 7.26107 9.24401 6.99516 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 8.05949 15.7959 8.94889 7.26107 9.24401 14.1634 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.03925 6.1168 5.07376 5.93235 6.84722 4.07416 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 6.28935 6.40216 9.42877 4.65019 8.70049 5.52902 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.86185 10.1043 7.80073 5.86546 8.87182 5.41296 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.86185 10.1043 7.80073 8.35939 5.95622 11.9194 numMergedOcc 0
28 mol 255 unq 0 iso 0 dist 7.57779 12.1115 7.16286 6.1967 8.88059 9.76349 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 7.10817 9.16554 5.63899 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 5.78262 7.01631 7.84151 4.30863 8.83491 7.46111 numMergedOcc 0
31 mol 273 unq 2 iso 0 dist 5.78262 7.05181 7.346 7.10817 9.16554 11.3048 numMergedOcc 0
32 mol 273 unq 3 iso 0 dist 5.78262 7.05181 7.346 4.30863 8.83491 5.60451 numMergedOcc 0
33 mol 281 unq 0 iso 0 dist 4.75349 5.50235 6.47753 6.79166 7.85707 10.2741 numMergedOcc 0
34 mol 281 unq 1 iso 0 dist 4.75349 9.84433 9.69744 6.79166 7.85707 13.7939 numMergedOcc 0
