0 mol 8 unq 0 iso 0 dist 9.36227 9.91301 8.5845 5.74143 11.5783 7.45487 10.4489 14.0444 7.18019 7.07501 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.5915 5.97635 9.88291 6.31564 5.01162 6.59893 11.5332 11.3153 7.21717 8.02105 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.5915 5.97635 9.88291 4.94741 10.3331 5.59773 11.5332 11.3153 7.21717 7.93241 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.59503 8.4545 4.73713 9.84923 8.6716 7.86724 12.49 5.93987 8.18107 6.04547 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.59503 8.4545 4.73713 9.84923 8.6716 7.86724 4.1125 7.7913 5.9465 5.97684 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 9.61119 8.4545 9.29076 9.84923 14.5799 7.86724 12.49 12.8217 8.18107 6.04547 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 9.61119 8.4545 9.29076 9.84923 14.5799 7.86724 4.1125 10.8438 5.9465 5.97684 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.72434 6.40546 6.0968 9.73554 14.8773 9.93703 5.73999 12.3696 8.99399 5.01597 numMergedOcc 0
8 mol 234 unq 0 iso 0 dist 7.50665 7.50424 5.44171 5.31797 4.90407 5.00515 11.2248 9.19443 6.30154 6.63685 numMergedOcc 0
9 mol 234 unq 1 iso 0 dist 7.50665 7.50424 5.44171 5.31797 4.90407 5.00515 10.6488 12.5134 7.32499 10.6768 numMergedOcc 0
10 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 11.3437 16.4542 7.29898 4.20164 6.58109 5.48118 10.4369 numMergedOcc 0
11 mol 249 unq 1 iso 0 dist 6.40339 6.37672 9.9244 13.0712 18.325 8.91685 4.20164 6.58109 5.48118 13.4788 numMergedOcc 0
12 mol 251 unq 0 iso 0 dist 8.89433 8.39644 12.3975 8.59586 12.4814 9.82043 4.01393 11.7846 8.68707 5.93645 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.37512 9.59174 8.27707 5.24482 9.4886 6.09782 5.32742 8.63176 9.63959 8.01004 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 7.34794 9.54857 5.41945 5.09929 5.22111 7.93997 8.74892 8.90398 7.08526 10.9643 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 9.71346 7.04833 6.50018 10.3384 14.6119 8.1498 10.7881 11.1092 6.71375 7.43256 numMergedOcc 0
