0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 3.52338 7.78327 13.5229 16.4746 12.8323 9.87885 17.9276 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 10.5071 8.68293 7.28643 6.50001 4.10106 6.54358 9.32171 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 6.50001 4.10106 6.54358 9.89425 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 4.15592 9.02471 12.6657 12.266 5.41726 6.6263 12.649 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 12.266 5.41726 6.75943 12.649 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 4.48773 7.92856 8.29813 8.3505 3.9764 5.10496 11.36 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 4.48773 7.92856 13.2057 8.3505 3.9764 5.92242 11.36 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.9747 10.4417 6.48948 4.48773 7.92856 13.2057 7.34638 7.03983 7.02507 8.7081 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 4.48773 7.92856 12.7473 14.2657 10.4782 7.54889 17.395 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.9747 11.3628 6.10456 4.48773 7.92856 12.7473 8.3505 3.9764 5.2571 11.36 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 4.50572 6.88489 5.08437 3.8493 7.92856 8.29813 8.32269 3.9764 5.10496 11.36 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 4.50572 9.63267 6.48948 3.8493 7.92856 13.2057 8.32269 3.9764 5.92242 11.36 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 4.50572 9.63267 6.48948 3.8493 7.92856 13.2057 6.0995 7.03983 7.02507 8.7081 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 4.50572 9.82583 6.10456 3.8493 7.92856 12.7473 14.7607 10.4782 7.54889 17.395 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 4.50572 9.82583 6.10456 3.8493 7.92856 12.7473 8.32269 3.9764 5.2571 11.36 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.81306 8.99891 9.14188 12.027 4.78563 5.37047 12.5751 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.8334 9.00072 12.2243 12.0918 5.39112 6.59889 10.6225 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 12.8334 9.00072 12.2243 11.756 4.84714 8.9192 12.4493 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 12.8334 9.00072 4.73288 12.0918 5.39112 6.70693 10.6225 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 10.7297 7.87971 7.20495 13.0085 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 11.298 12.0033 9.2289 15.3259 numMergedOcc 0
21 mol 167 unq 2 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 11.5835 11.6011 7.02548 15.6111 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 9.08651 5.1609 8.89157 15.2698 6.84862 5.56538 8.88902 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 9.08651 5.1609 8.89157 16.9252 9.53117 7.48954 9.83916 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 3.71488 4.43499 4.32238 14.1679 10.6736 6.73665 10.5638 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 10.6139 9.18798 5.96249 10.7775 4.04513 8.03219 12.3781 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 10.6139 9.18798 5.96249 4.95855 7.09907 6.9899 12.745 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 9.12507 5.59901 5.30224 9.58753 8.25897 5.97386 10.7775 4.04513 8.03219 12.1864 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 9.12507 5.59901 5.30224 9.58753 8.25897 5.97386 4.95855 7.09907 6.9899 10.838 numMergedOcc 0
