0 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 7.7047 5.73235 9.0369 8.78063 14.6364 7.61521 12.8454 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 7.41861 6.46582 8.58474 4.00834 7.48127 5.91098 8.78063 14.6364 7.61521 10.2219 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 7.82249 9.30187 5.24084 4.41948 7.79078 10.3174 6.7814 9.32858 7.78789 10.7092 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 5.56946 8.00624 7.97548 4.80675 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 6.4379 11.5175 9.9291 5.57362 numMergedOcc 0
5 mol 129 unq 2 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 6.10584 8.42289 7.32151 7.01358 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.75242 5.79195 9.35049 4.84607 9.64659 5.78814 13.1243 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 4.84607 9.64659 5.78814 15.9524 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.9268 4.82356 4.63862 15.4372 8.76088 13.1234 4.84607 9.64659 5.78814 18.0964 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 9.56319 8.22722 6.208 14.3149 8.8353 14.0891 17.2785 11.1187 9.72387 15.9192 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 9.73038 8.52036 6.208 17.9749 8.8353 14.0891 16.4238 11.1187 9.72387 15.9192 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 8.19166 8.83476 4.63862 6.45333 5.79195 9.35049 11.981 9.64659 5.78814 13.1243 numMergedOcc 0
12 mol 133 unq 6 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 11.981 9.64659 5.78814 15.9524 numMergedOcc 0
13 mol 133 unq 7 iso 0 dist 8.19166 8.83476 4.63862 14.3705 8.76088 13.1234 11.981 9.64659 5.78814 18.0964 numMergedOcc 0
14 mol 136 unq 0 iso 0 dist 7.65792 9.73897 6.9502 4.65485 8.41727 11.8366 6.38418 11.8469 9.92504 10.4141 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 7.75436 5.32865 14.6837 6.91778 9.88662 6.73617 12.348 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 5.47265 8.36182 9.71714 7.75436 5.32865 14.6067 6.91778 9.88662 9.03544 12.348 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.47833 8.93485 6.82382 11.2438 6.43519 8.83628 4.2475 11.2748 9.31158 14.3203 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.47586 5.66636 6.82382 7.47443 6.43519 8.83628 6.8901 11.2748 9.31158 14.3203 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 10.1932 7.53199 10.2898 9.07364 11.1621 8.03012 11.8477 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 9.07364 11.1621 8.03012 4.6881 numMergedOcc 0
21 mol 258 unq 2 iso 0 dist 5.9223 6.61322 5.05766 6.72414 7.40014 7.91978 9.07364 11.1621 8.03012 6.80596 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 4.47698 7.52632 9.92016 5.75478 15.5997 5.7944 9.62293 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 7.38536 5.28731 3.57803 6.37482 6.32984 7.08681 4.16039 8.46833 5.03601 9.237 numMergedOcc 0
