0 mol 19 unq 0 iso 0 dist 6.864 6.92532 9.47529 10.0411 7.7312 9.66242 10.8007 9.56313 7.48847 4.23427 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 6.92532 9.47529 10.0411 7.7312 9.66242 5.03957 11.0366 6.36455 10.9814 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.66248 7.49157 9.41655 7.05502 11.573 7.83786 10.0118 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 6.73521 7.73794 6.803 7.05502 11.573 7.83786 6.07594 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 12.5438 7.98005 16.0536 9.78225 17.7357 8.6385 21.028 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.34347 5.69955 10.6756 8.39015 8.31381 10.8239 9.78225 17.7357 8.6385 14.9612 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 12.6657 9.02471 17.0111 8.13395 6.20293 8.60739 14.0654 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 14.0654 9.02471 17.0111 8.13395 8.80331 9.93832 12.6657 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.58835 9.44459 11.6164 5.84319 8.27463 13.3301 5.24762 11.2563 6.06454 9.89212 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 4.73407 6.23522 11.3605 5.4148 10.2049 8.73253 5.17781 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 5.76272 8.04242 5.72961 4.26409 6.19965 7.1589 8.18948 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 8.18948 8.04242 5.72961 4.26409 7.95579 8.00777 5.76272 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 4.69658 6.87434 9.34689 4.8896 11.5121 6.78038 6.35793 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 4.68615 6.79114 7.34557 7.65448 10.399 9.77552 10.6994 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 5.87555 8.28642 5.70788 4.73288 7.59457 11.5228 7.65448 10.399 9.77552 12.2243 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 12.2243 9.00072 11.5228 7.65448 6.70283 8.28642 4.73288 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 6.70283 8.28642 9.35627 4.73288 9.00072 11.5228 7.65448 8.56324 9.77552 12.2243 numMergedOcc 0
17 mol 152 unq 4 iso 0 dist 8.67331 8.28642 11.2078 4.73288 7.55419 11.5228 7.65448 14.1618 9.77552 12.2243 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.30224 8.59697 7.31951 5.96249 9.18798 13.8208 9.98105 11.858 8.55558 15.5567 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 5.97386 8.25897 14.1339 9.98105 11.858 8.55558 14.7507 numMergedOcc 0
