0 mol 15 unq 0 iso 0 dist 7.87072 6.16274 4.74688 7.16107 9.97769 8.82129 5.46344 12.3755 8.85174 9.82407 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.83402 8.46842 5.59268 5.03904 8.27137 4.79873 16.8735 13.4236 9.48085 12.7147 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.8409 8.40871 7.17843 10.8182 7.32064 6.85523 3.48199 5.85007 5.77326 8.2592 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 5.8409 8.40871 7.17843 9.73666 5.24136 8.28423 10.8182 7.32064 6.85523 3.46043 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.8409 8.40871 7.17843 9.73666 5.24136 8.28423 3.48199 5.85007 5.77326 8.20564 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 5.8409 8.40871 7.17843 10.6235 6.44687 13.3131 10.8182 7.32064 6.85523 10.589 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 5.8409 8.40871 7.17843 10.6235 6.44687 13.3131 3.48199 5.85007 5.77326 11.4675 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 5.8409 8.40871 7.17843 3.48199 5.85007 5.77326 10.8182 7.32064 6.85523 8.2592 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 8.13368 8.40871 4.4651 10.8182 4.62314 6.85523 3.48199 6.35234 5.77326 8.2592 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 8.13368 8.40871 4.4651 9.73666 4.41745 8.28423 10.8182 4.62314 6.85523 3.46043 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 8.13368 8.40871 4.4651 9.73666 4.41745 8.28423 3.48199 6.35234 5.77326 8.20564 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 8.13368 8.40871 4.4651 3.48199 6.35234 5.77326 10.8182 4.62314 6.85523 8.2592 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.3761 9.48388 12.3835 4.54306 5.33961 7.78931 10.9661 10.5543 8.7497 6.70343 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.84583 9.48388 4.96747 4.54306 5.08983 7.78931 10.9661 9.58039 8.7497 6.70343 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 5.75588 6.53559 5.51197 3.82645 8.23699 6.69691 5.94312 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 4.76012 6.1421 6.43966 5.75588 6.53559 5.51197 4.18263 7.90844 8.86944 9.74141 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 4.76012 6.1421 6.43966 4.18263 7.90844 8.86944 3.82645 8.23699 6.69691 5.35495 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 4.76012 6.1421 6.43966 4.18263 7.90844 8.86944 5.75588 6.53559 5.51197 9.74141 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.22824 7.31419 5.73965 4.78701 8.78303 10.3432 6.4405 10.2498 5.35237 10.5379 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.22824 7.31419 5.73965 4.78701 8.78303 10.3432 3.64555 10.6236 8.70621 5.83782 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.05227 7.18765 7.56497 4.26432 6.0033 9.10817 14.0652 14.8201 9.73548 16.8666 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 8.73545 4.94074 6.52848 14.2672 8.7831 14.3009 7.83075 7.1229 8.51625 8.23358 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 8.73545 4.94074 6.52848 14.2649 9.61071 14.2 7.83075 7.1229 8.51625 6.91967 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 4.60602 9.02113 5.00269 4.65147 6.46935 9.31275 7.14116 5.98384 8.56508 5.42225 numMergedOcc 0
24 mol 270 unq 1 iso 0 dist 4.60602 9.02113 5.00269 7.14116 5.98384 8.56508 4.65147 6.46935 9.31275 5.42225 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 4.77692 5.72473 10.1532 6.38012 12.7549 9.90967 9.14614 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 6.84909 6.02089 9.83514 4.77692 5.72473 10.1532 6.03672 10.2238 9.9886 5.26492 numMergedOcc 0
27 mol 292 unq 2 iso 0 dist 6.84909 6.87804 8.04474 4.77692 5.72473 7.20674 6.38012 12.7549 8.38121 9.14614 numMergedOcc 0
