0 mol 129 unq 0 iso 0 dist 7.07421 7.6453 5.06265 9.31543 5.04019 9.82512 4.80675 6.29026 8.00624 6.69691 numMergedOcc 0
1 mol 129 unq 1 iso 0 dist 7.07421 7.6453 5.06265 8.85652 4.79473 6.31483 4.80675 6.29026 8.00624 5.51197 numMergedOcc 0
2 mol 132 unq 0 iso 0 dist 8.15549 9.39389 10.8474 8.62632 12.032 7.69707 10.469 7.70349 17.2611 17.3415 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.50126 9.2759 5.35551 5.9959 5.30466 4.85121 15.9524 8.84018 9.64659 11.4316 numMergedOcc 0
4 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 8.39573 5.71744 3.97523 4.681 6.43406 4.71906 5.05973 numMergedOcc 0
5 mol 181 unq 1 iso 0 dist 6.47689 9.40718 5.15002 8.39573 5.71744 9.76508 4.681 6.43406 10.9766 5.05973 numMergedOcc 0
6 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 8.57781 3.56689 4.67513 15.4433 9.75313 12.6229 8.08349 numMergedOcc 0
7 mol 226 unq 0 iso 0 dist 7.20862 8.74399 12.3908 8.31266 13.7904 5.27153 10.5706 9.5723 18.3138 18.831 numMergedOcc 0
8 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 9.67162 4.8226 10.7395 5.52669 9.10613 9.44496 8.23087 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 7.70189 8.10903 5.27718 9.6327 8.08023 8.78474 9.78068 8.58088 9.04358 15.8864 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 7.70189 7.25618 9.46467 9.6327 8.08023 11.3267 9.78068 8.58088 10.0455 15.8864 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 4.55368 8.54422 6.14631 8.40328 7.06301 11.0103 6.18571 7.93997 13.119 5.85442 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 4.55368 8.54422 6.14631 8.2518 7.80863 10.099 6.18571 7.93997 13.119 6.95511 numMergedOcc 0
13 mol 259 unq 2 iso 0 dist 4.55368 7.67473 6.89689 8.40328 7.06301 8.71577 6.18571 7.93997 10.895 5.85442 numMergedOcc 0
14 mol 259 unq 3 iso 0 dist 4.55368 7.67473 6.89689 8.2518 7.80863 6.47425 6.18571 7.93997 10.895 6.95511 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 7.53773 9.243 6.85055 9.83098 14.4652 13.1215 4.69801 9.53225 12.4981 13.9896 numMergedOcc 0
