0 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 8.69142 4.98603 5.30297 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.79041 6.40398 10.7491 5.71014 6.51112 6.0015 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.73257 8.8717 8.15141 7.66913 4.41248 12.5406 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.21143 6.22124 5.99852 9.46449 9.84993 13.1663 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.06918 4.67358 11.6542 6.13606 9.29381 8.68801 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 7.52623 4.67358 11.7156 6.13606 6.40963 8.68801 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 5.62294 4.67358 4.95817 6.13606 8.69313 8.68801 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.62702 7.05954 6.39495 6.15011 13.5159 8.0763 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.97484 7.05954 8.23539 6.15011 6.50817 8.0763 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 8.65004 6.35738 5.91698 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.85365 5.9819 9.06991 9.86487 10.8329 15.0784 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 9.6785 5.36473 7.27945 9.84391 15.0649 8.66057 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.95674 8.37793 7.68389 9.29665 6.61001 13.6359 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 5.81632 6.03116 8.33921 8.85675 4.70993 10.4731 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.64561 8.22643 5.15519 5.0778 4.65391 6.74112 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 5.20111 9.95951 9.89528 9.17634 4.68679 12.4196 numMergedOcc 0
16 mol 209 unq 1 iso 0 dist 5.20111 6.43914 9.02883 9.17634 4.68679 12.5858 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.51038 6.06276 11.3192 9.37981 5.70052 10.1826 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.50118 5.5826 6.48619 8.85202 10.5587 6.84212 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 6.50118 5.5826 6.48619 6.97527 10.3809 4.77308 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 9.3099 5.5826 5.8333 8.85202 10.7363 6.84212 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 9.3099 5.5826 5.8333 6.97527 10.3147 4.77308 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.8896 9.27043 8.06664 8.18864 7.38014 9.48249 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.8896 7.95244 11.3657 8.18864 7.38014 12.5573 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 8.8896 5.57832 7.73777 8.18864 7.38014 5.06985 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 9.26654 6.42743 10.3569 9.42297 14.9634 14.5663 numMergedOcc 0
