0 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.5229 7.78327 17.9276 13.2247 12.2333 6.1206 15.9781 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 12.6657 9.02471 12.649 8.13395 6.20293 6.75943 14.0654 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.20293 6.75943 5.41726 14.0654 9.02471 12.649 8.13395 8.80331 6.6263 12.6657 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.93183 9.4278 10.8756 5.79773 11.715 8.66539 8.68799 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 7.93183 9.4278 10.8756 5.47421 7.32874 8.69057 10.7675 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 10.7675 9.4278 10.8756 10.8779 11.715 8.66539 8.68799 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 10.7675 9.4278 10.8756 5.47421 6.81627 5.38524 7.93183 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.64012 9.08221 4.00553 5.87468 6.79356 9.10675 7.5247 10.3988 9.97769 11.884 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.64012 9.08221 4.00553 5.87468 6.79356 9.10675 10.0658 11.221 9.32706 12.0104 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 4.73407 6.23522 11.6307 5.4148 10.2049 7.4369 5.17781 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.03572 8.27883 4.99174 4.73066 7.51733 4.3439 6.59884 11.5113 7.7152 4.20834 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.83255 8.27883 8.67311 4.73066 9.01607 4.3439 6.59884 12.9844 7.7152 4.20834 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 9.51923 6.48948 5.92242 13.2057 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 8.40073 6.10456 5.2571 12.7473 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 10.2427 10.1136 8.7497 15.2088 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 9.51923 5.08437 5.10496 8.29813 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 9.42358 6.10456 5.2571 12.7473 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 13.9786 10.1136 8.7497 15.2088 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 13.659 17.4071 9.64383 25.2475 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 5.02887 10.1136 7.78931 15.2088 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 8.40073 5.08437 5.10496 8.29813 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 9.42358 6.48948 5.92242 13.2057 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 5.02887 10.1136 8.7497 15.2088 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.69658 6.87434 5.92828 4.8896 11.5121 9.02706 6.35793 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 7.71338 8.0427 7.57713 4.69658 6.87434 9.1247 4.8896 11.5121 9.39168 6.35793 numMergedOcc 0
25 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 4.05822 8.04118 5.42679 5.32922 5.31024 6.14151 4.7832 numMergedOcc 0
26 mol 142 unq 1 iso 0 dist 5.31024 6.14151 4.67662 4.7832 8.04118 5.42679 5.32922 9.2313 7.81207 4.05822 numMergedOcc 0
27 mol 142 unq 2 iso 0 dist 7.73169 7.81207 5.81599 4.05822 8.39035 5.42679 5.32922 7.26382 6.14151 4.7832 numMergedOcc 0
28 mol 142 unq 3 iso 0 dist 7.26382 6.14151 5.81599 4.7832 8.39035 5.42679 5.32922 7.73169 7.81207 4.05822 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 4.68615 6.79114 8.60651 7.65448 10.399 6.59889 10.6994 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 5.87555 6.70693 4.94983 4.73288 7.59457 10.6225 7.65448 10.399 6.59889 12.2243 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.56324 6.59889 5.39112 12.2243 9.00072 10.6225 7.65448 6.70283 6.70693 4.73288 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 6.70283 6.70693 5.39112 4.73288 9.00072 10.6225 7.65448 8.56324 6.59889 12.2243 numMergedOcc 0
33 mol 152 unq 4 iso 0 dist 8.67331 6.70693 9.67475 4.73288 7.55419 10.6225 7.65448 14.1618 6.59889 12.2243 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.87651 9.2289 12.0033 12.8624 5.36671 15.3259 4.70068 12.4733 7.68266 14.5742 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 9.87651 9.2289 12.0033 12.8624 5.36671 15.3259 10.3445 17.5366 7.6616 20.0033 numMergedOcc 0
36 mol 167 unq 2 iso 0 dist 9.87651 7.02548 11.6011 12.8624 5.36671 15.6111 4.70068 12.4733 6.84752 14.5742 numMergedOcc 0
37 mol 167 unq 3 iso 0 dist 9.87651 7.02548 11.6011 12.8624 5.36671 15.6111 10.3445 17.5366 7.86563 20.0033 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 11.347 16.5158 9.34438 15.4772 numMergedOcc 0
39 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 7.97994 13.7154 9.35949 10.3205 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 5.30224 6.9899 7.09907 5.96249 9.18798 12.745 9.98105 11.858 5.85442 15.5567 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 5.30224 6.9899 7.09907 5.97386 8.25897 10.838 9.98105 11.858 5.85442 14.7507 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.75371 5.69112 13.9096 11.8268 21.4606 9.57499 18.7934 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 7.75371 5.69112 13.9096 7.08227 16.3537 5.46926 14.2348 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 11.3546 7.2091 16.9668 11.8268 21.4606 9.57499 21.8809 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 11.3546 7.2091 16.9668 7.08227 16.3537 5.46926 17.8141 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 9.7748 6.92711 14.772 7.75371 5.69112 11.5963 7.08227 16.3537 5.13913 14.2348 numMergedOcc 0
47 mol 277 unq 5 iso 0 dist 9.7748 6.92711 14.772 11.3546 7.2091 14.8995 7.08227 16.3537 5.13913 17.8141 numMergedOcc 0
48 mol 280 unq 0 iso 0 dist 6.53701 6.02353 4.90315 6.87492 6.01897 8.96231 5.51836 6.0664 6.86234 3.51781 numMergedOcc 0
49 mol 280 unq 1 iso 0 dist 6.0664 6.86234 4.90315 3.51781 6.01897 8.96231 5.51836 6.53701 6.02353 6.87492 numMergedOcc 0
