0 mol 48 unq 0 iso 0 dist 8.05728 5.05927 7.38928 4.91237 5.35252 5.03338 6.72531 9.66389 11.1779 9.04514 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 15.8477 8.64686 9.57704 13.9046 6.05149 8.71103 5.55798 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 8.44207 6.9006 6.81741 4.95662 8.68674 4.74328 8.81282 6.02095 5.33644 5.61946 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 7.52954 4.32749 7.81042 6.78021 6.56481 5.73608 12.5739 5.86578 11.9113 8.23356 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 4.74644 7.6453 5.06265 9.0455 5.0466 8.63018 6.65878 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 12.6339 8.75242 6.85651 6.9268 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 12.8104 6.45333 7.03858 8.19166 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 7.17051 5.80658 5.12189 5.9683 9.2759 10.8516 12.6339 14.0828 16.9398 6.9268 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 7.17051 5.80658 5.12189 5.9683 9.2759 10.8516 12.8104 11.5586 15.5532 8.19166 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 7.17051 8.58899 7.50126 5.9683 9.2759 5.35551 12.6339 14.0828 6.85651 6.9268 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 7.17051 8.58899 7.50126 5.9683 9.2759 5.35551 12.8104 11.5586 7.03858 8.19166 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 8.60259 5.30434 6.01666 6.44163 7.60302 5.16489 13.0454 7.95492 12.1881 9.82478 numMergedOcc 0
12 mol 217 unq 1 iso 0 dist 8.60259 5.30434 6.01666 6.44163 7.60302 5.16489 10.7481 4.10975 8.79299 7.80898 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 7.54614 9.97507 7.20862 12.983 8.74399 12.3908 17.2529 9.96567 12.1792 9.03261 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 9.81689 12.7023 9.50814 10.531 7.52632 3.89234 15.8929 7.53666 10.5131 8.5774 numMergedOcc 0
15 mol 265 unq 1 iso 0 dist 9.81689 12.7023 9.50814 10.531 7.52632 3.89234 11.4903 4.47698 10.3071 9.94957 numMergedOcc 0
16 mol 265 unq 2 iso 0 dist 9.81689 12.7023 9.50814 10.531 7.52632 3.89234 14.6106 5.62902 8.22353 8.01664 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.36806 7.43132 8.12204 4.39397 9.39714 5.91091 11.5029 14.487 10.8326 7.3055 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 7.51446 8.18304 8.12204 9.47559 9.39714 5.91091 16.638 14.487 10.8326 7.3055 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 9.39409 5.66584 12.4464 7.3388 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 9.39409 5.66584 12.4464 6.96248 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 9.39409 5.66584 12.4464 7.3388 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 9.39409 5.66584 12.4464 6.96248 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 9.39409 5.66584 12.4464 7.3388 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 9.39409 5.66584 12.4464 6.96248 numMergedOcc 0
