0 mol 6 unq 0 iso 0 dist 8.53414 11.7366 9.47965 8.56059 9.97675 16.4452 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 7.73945 10.6167 9.60995 5.05122 8.23618 10.0087 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.26962 10.7095 9.60995 12.6202 8.23618 10.0087 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.62393 11.3084 9.87177 9.05786 9.94312 12.5066 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.62393 4.61913 6.70925 9.05786 9.94312 4.71695 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.62393 7.50438 8.95756 9.05786 9.94312 7.02797 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.03125 13.4319 8.95808 9.39929 7.78306 5.86285 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.03125 10.9416 8.48766 9.39929 7.78306 11.8236 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.80296 13.2667 8.95808 13.9489 7.78306 5.86285 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 7.80296 4.89289 8.48766 13.9489 7.78306 11.8236 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.42412 7.36609 8.39253 5.30284 7.26463 7.49885 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 7.46836 11.35 7.83509 7.18119 5.61764 8.00585 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 9.01779 8.24403 5.89907 8.52573 6.12385 4.39532 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 8.22298 5.89529 8.24157 8.04791 6.83301 5.76764 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 7.75812 4.63911 5.40655 7.71652 6.11382 8.51 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.42555 6.22743 9.32657 7.83217 8.21112 14.0402 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.42555 6.22743 9.32657 5.46677 7.06533 11.0093 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 5.42555 6.22743 9.32657 5.70572 5.94835 7.30488 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 7.63164 6.22743 6.21409 5.70572 6.76947 7.30488 numMergedOcc 0
19 mol 211 unq 0 iso 0 dist 7.49633 6.28313 7.38723 9.31424 7.15386 5.45968 numMergedOcc 0
20 mol 211 unq 1 iso 0 dist 7.49633 6.28313 7.38723 9.51724 7.73993 9.04294 numMergedOcc 0
21 mol 211 unq 2 iso 0 dist 7.49633 6.28313 7.38723 13.7733 9.45365 9.3095 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 7.68193 10.8127 9.30018 10.197 5.96276 4.54952 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 4.91778 10.261 8.15217 6.092 5.38704 4.77555 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 4.91778 10.261 8.15217 8.29408 8.26695 6.30262 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 8.76267 10.261 7.62562 15.0155 7.59956 7.60168 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 8.76267 10.261 7.62562 6.092 8.05503 4.77555 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 8.76267 10.261 7.62562 8.29408 5.59151 6.30262 numMergedOcc 0
