0 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 13.9292 9.31883 3.8237 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.27883 12.2054 6.93364 12.332 9.475 6.07532 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 7.27883 12.2054 6.93364 10.6903 8.34011 4.47743 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 7.27883 12.2054 6.93364 7.10408 6.29842 11.418 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 7.27883 9.09489 6.34821 13.9292 9.31883 4.97937 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 7.27883 9.09489 6.34821 12.332 9.475 3.68737 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 7.27883 9.09489 6.34821 10.6903 8.34011 3.93021 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 7.27883 9.09489 6.34821 7.10408 6.29842 11.1366 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 6.12212 11.6261 8.19733 6.18479 8.55553 11.2159 numMergedOcc 0
9 mol 39 unq 1 iso 0 dist 6.12212 11.6261 8.19733 3.81369 5.00813 8.56189 numMergedOcc 0
10 mol 39 unq 2 iso 0 dist 6.12212 5.48821 8.57165 6.18479 8.55553 11.4688 numMergedOcc 0
11 mol 39 unq 3 iso 0 dist 6.12212 5.48821 8.57165 3.81369 5.00813 7.29013 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.81334 5.72925 8.69209 7.43211 6.97741 3.83015 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 12.2776 9.08732 9.67572 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 14.4533 6.46217 11.5028 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.21032 10.878 7.85041 3.24551 6.46217 11.5028 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 9.82548 15.3233 7.92876 14.3069 4.72339 6.10261 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 9.82548 15.3233 7.92876 11.6056 6.48902 4.42903 numMergedOcc 0
18 mol 111 unq 2 iso 0 dist 9.82548 15.3233 7.92876 10.8119 7.21505 13.0195 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 7.85653 6.63467 8.01587 9.80482 8.3735 12.9241 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 5.04351 6.04249 8.1069 10.8094 8.71836 8.77123 numMergedOcc 0
21 mol 146 unq 1 iso 0 dist 5.04351 9.77501 8.68349 10.8094 8.71836 6.19717 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 11.3398 7.19893 7.97454 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 6.4752 4.10092 5.1101 6.78721 6.37938 3.547 numMergedOcc 0
24 mol 147 unq 2 iso 0 dist 6.4752 4.47436 7.01133 11.3398 7.19893 13.3536 numMergedOcc 0
25 mol 147 unq 3 iso 0 dist 6.4752 4.47436 7.01133 6.78721 6.37938 9.88741 numMergedOcc 0
26 mol 151 unq 0 iso 0 dist 5.87912 6.2508 5.63814 9.75631 9.06016 4.26123 numMergedOcc 0
27 mol 151 unq 1 iso 0 dist 7.06678 5.32583 5.63814 8.95545 9.06016 4.26123 numMergedOcc 0
28 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 10.5886 8.06621 5.30823 numMergedOcc 0
29 mol 163 unq 0 iso 0 dist 9.3832 14.7696 8.21476 3.65465 7.69757 11.6682 numMergedOcc 0
30 mol 163 unq 1 iso 0 dist 9.3832 9.55472 7.66897 3.65465 7.69757 7.1982 numMergedOcc 0
31 mol 163 unq 2 iso 0 dist 6.0247 6.00005 8.21476 11.458 7.69757 11.6682 numMergedOcc 0
32 mol 163 unq 3 iso 0 dist 6.0247 6.69711 7.66897 11.458 7.69757 7.1982 numMergedOcc 0
33 mol 163 unq 4 iso 0 dist 6.40873 9.09427 8.21476 9.56095 7.69757 11.6682 numMergedOcc 0
34 mol 163 unq 5 iso 0 dist 6.40873 5.45003 7.66897 9.56095 7.69757 7.1982 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 9.12296 10.3187 7.01126 9.43753 6.90373 5.31608 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 8.91912 6.58235 7.37935 12.2295 7.79105 10.4239 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.86462 6.34706 6.23898 7.57188 5.4621 4.24855 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 9.86462 6.34706 6.23898 11.3371 8.91819 5.31276 numMergedOcc 0
39 mol 250 unq 0 iso 0 dist 9.43554 14.0983 8.70484 7.81555 7.5999 12.1963 numMergedOcc 0
40 mol 250 unq 1 iso 0 dist 9.43554 14.0983 8.70484 9.41799 9.50976 7.38134 numMergedOcc 0
41 mol 250 unq 2 iso 0 dist 9.21681 10.9117 8.70484 16.7301 7.5999 12.1963 numMergedOcc 0
42 mol 250 unq 3 iso 0 dist 9.21681 10.9117 8.70484 16.2129 9.50976 7.38134 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 9.81593 7.31906 5.2361 18.713 9.76731 14.0295 numMergedOcc 0
44 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 15.0079 8.38599 10.3309 numMergedOcc 0
45 mol 252 unq 2 iso 0 dist 9.81593 12.2338 5.57515 18.713 9.76731 7.41325 numMergedOcc 0
46 mol 252 unq 3 iso 0 dist 9.81593 12.2338 5.57515 15.0079 8.38599 7.40276 numMergedOcc 0
47 mol 252 unq 4 iso 0 dist 9.81593 14.2535 8.28694 18.713 9.76731 6.68865 numMergedOcc 0
48 mol 252 unq 5 iso 0 dist 9.81593 14.2535 8.28694 15.0079 8.38599 3.93498 numMergedOcc 0
49 mol 252 unq 6 iso 0 dist 9.78248 12.8039 5.2361 3.91004 9.76731 14.0295 numMergedOcc 0
50 mol 252 unq 7 iso 0 dist 9.78248 12.8039 5.2361 3.76825 8.38599 10.3309 numMergedOcc 0
51 mol 252 unq 8 iso 0 dist 9.78248 8.32839 5.57515 3.91004 9.76731 7.41325 numMergedOcc 0
52 mol 252 unq 9 iso 0 dist 9.78248 8.32839 5.57515 3.76825 8.38599 7.40276 numMergedOcc 0
53 mol 252 unq 10 iso 0 dist 9.78248 5.63228 8.28694 3.91004 9.76731 6.68865 numMergedOcc 0
54 mol 252 unq 11 iso 0 dist 9.78248 5.63228 8.28694 3.76825 8.38599 3.93498 numMergedOcc 0
55 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 9.86659 8.78525 3.50016 numMergedOcc 0
56 mol 264 unq 1 iso 0 dist 7.94668 12.2052 9.42738 9.26671 8.78525 3.50016 numMergedOcc 0
57 mol 270 unq 0 iso 0 dist 4.95899 5.90942 7.89335 4.67653 8.38298 9.04304 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 5.70326 7.49914 6.73126 4.20802 4.61089 6.50127 numMergedOcc 0
