0 mol 58 unq 0 iso 0 dist 7.04193 5.99959 9.95096 6.10173 12.0481 8.71468 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.15486 5.99959 5.11205 6.10173 12.3035 8.71468 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 5.99959 6.75888 6.10173 7.21955 8.71468 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 5.94478 8.68825 6.80288 9.41836 11.9098 9.07734 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 4.93035 9.82638 7.57216 9.11419 9.79216 5.52683 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 9.75558 9.82638 12.6352 9.11419 15.738 5.52683 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 8.72463 4.86894 5.44503 10.4027 9.14266 9.30424 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 9.7168 4.7785 6.84291 6.57631 9.99156 8.73468 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 9.7168 4.7785 6.84291 8.40891 8.18085 9.73927 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 7.38138 4.7785 6.29254 6.57631 12.1227 8.73468 numMergedOcc 0
10 mol 148 unq 3 iso 0 dist 7.38138 4.7785 6.29254 8.40891 11.2961 9.73927 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 9.61132 4.79493 6.79619 6.56068 9.8656 8.73558 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 9.61132 4.79493 6.79619 8.32178 7.94889 9.66129 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 7.34423 4.79493 6.25747 6.56068 12.1516 8.73558 numMergedOcc 0
14 mol 150 unq 3 iso 0 dist 7.34423 4.79493 6.25747 8.32178 11.2313 9.66129 numMergedOcc 0
15 mol 153 unq 0 iso 0 dist 9.56587 5.8332 8.24824 7.74047 14.8213 9.75856 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 7.39961 9.89595 9.30783 11.7605 13.5699 5.81122 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 7.80643 9.89595 7.29758 11.7605 9.44367 5.81122 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.05666 8.15486 5.71262 5.76622 8.77999 7.33225 numMergedOcc 0
19 mol 199 unq 0 iso 0 dist 9.09788 5.64398 6.58462 11.0326 15.7553 9.38376 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.2527 5.3853 5.11565 10.0472 7.57812 8.90076 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.2527 5.3853 5.11565 10.0651 8.69104 6.62002 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.13194 5.3853 11.0401 10.0472 9.24557 8.90076 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 7.13194 5.3853 11.0401 10.0651 12.9364 6.62002 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 9.04738 9.39803 9.94943 10.6962 9.99864 5.81266 numMergedOcc 0
25 mol 271 unq 1 iso 0 dist 8.68046 9.39803 5.93024 10.6962 11.131 5.81266 numMergedOcc 0
26 mol 271 unq 2 iso 0 dist 5.98336 9.39803 11.1225 10.6962 14.5854 5.81266 numMergedOcc 0
27 mol 271 unq 3 iso 0 dist 9.67453 9.39803 10.6293 10.6962 14.1767 5.81266 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.84268 7.15628 9.10274 14.2963 17.7437 8.87606 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 9.6958 9.54237 9.82087 5.85169 12.4505 7.36811 numMergedOcc 0
