0 mol 29 unq 0 iso 0 dist 8.94219 13.6066 8.53135 14.6615 6.69806 5.36278 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 8.94219 13.6066 8.53135 9.37221 5.82508 7.50258 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.10027 8.10291 9.56188 13.5208 9.57875 7.44913 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 9.91757 5.46838 9.56188 12.3148 9.57875 7.44913 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.39578 12.5526 9.8048 17.9644 12.8718 7.15248 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 9.39578 12.5526 9.8048 15.1788 9.08666 8.43162 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.19439 6.64689 5.92836 5.047 7.82218 8.8353 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.2447 9.19903 6.55217 12.8986 5.90456 9.13339 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 9.2447 9.19903 6.55217 13.0365 5.00766 7.60956 numMergedOcc 0
9 mol 140 unq 2 iso 0 dist 9.2447 4.33865 7.21686 13.0365 5.00766 9.9171 numMergedOcc 0
10 mol 140 unq 3 iso 0 dist 8.7432 13.4387 6.55217 13.7193 5.90456 9.13339 numMergedOcc 0
11 mol 140 unq 4 iso 0 dist 8.7432 13.4387 6.55217 10.7853 5.00766 7.60956 numMergedOcc 0
12 mol 140 unq 5 iso 0 dist 8.7432 10.6512 7.21686 10.7853 5.00766 9.9171 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 9.44522 5.88739 7.89026 14.3096 8.91219 9.64195 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 9.52751 5.91624 7.62505 11.5516 8.07672 7.86075 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.9354 7.72914 7.449 15.094 13.3781 9.01071 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 6.78239 7.72914 8.98789 15.094 14.2324 9.01071 numMergedOcc 0
17 mol 255 unq 0 iso 0 dist 9.96798 8.57575 7.16286 15.4649 12.1115 7.57779 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.83444 12.9058 6.38295 14.9683 5.846 4.45141 numMergedOcc 0
19 mol 290 unq 0 iso 0 dist 9.05434 6.84111 8.29597 11.8342 4.96234 7.79492 numMergedOcc 0
