0 mol 26 unq 0 iso 0 dist 7.71457 6.17217 5.60677 6.0606 8.13863 6.81793 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 7.9399 8.2746 6.71999 9.29705 8.52567 11.5353 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.70787 7.57443 3.69039 10.0714 8.31317 11.6929 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 8.79457 5.91009 4.16056 13.549 8.90591 11.6842 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.74617 5.59552 4.2144 10.2656 8.806 6.87506 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.12196 8.23777 8.7368 3.82552 5.64143 5.36587 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.43487 9.66068 8.69658 13.1684 6.41507 11.509 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.43487 9.66068 8.69658 8.60362 6.03035 9.30645 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 9.43487 8.03783 11.1416 13.1684 6.41507 14.181 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 9.43487 8.03783 11.1416 8.60362 6.03035 10.6797 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.46162 8.4733 11.7528 10.9515 9.40295 17.4092 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.46162 8.4733 11.7528 11.5395 9.49225 15.6292 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.29634 9.34823 6.65893 5.92411 4.22806 8.67537 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.58803 9.04845 5.21958 5.68827 5.47256 8.83732 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.96967 7.94325 5.21958 10.124 5.47256 8.83732 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 6.31523 6.72323 5.21958 11.5628 5.47256 8.83732 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 9.9803 9.90795 6.20748 7.40997 8.61764 12.7275 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 8.15287 7.13099 10.8057 8.72864 6.44817 13.4617 numMergedOcc 0
18 mol 219 unq 1 iso 0 dist 8.15287 7.13099 10.8057 12.8837 9.36547 15.9637 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.94771 6.32097 3.42696 5.06821 9.24563 9.23863 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 8.95266 8.23877 3.82706 13.6536 9.2551 10.8126 numMergedOcc 0
