0 mol 20 unq 0 iso 0 dist 8.45034 12.5691 6.29237 11.7719 7.3057 7.14069 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45034 16.0182 9.24286 11.7719 7.3057 8.58641 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.71457 6.0606 8.13863 6.17217 5.60677 6.81793 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.44363 6.99091 9.67624 12.969 11.021 8.96684 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.70787 10.0714 8.31317 14.0073 13.9203 5.7684 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.74617 10.2656 8.806 5.59552 4.2144 6.87506 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.83855 13.1278 9.37159 17.4337 11.2991 5.33764 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 8.12196 3.82552 5.64143 9.32042 9.55341 8.06134 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 8.12196 3.82552 5.64143 8.23777 8.7368 5.36587 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.43487 8.60362 6.03035 9.66068 8.69658 9.30645 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.97052 5.56591 6.03035 13.8709 8.69658 9.30645 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 7.3324 12.0012 6.03035 15.684 8.69658 9.30645 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.29634 5.92411 4.22806 9.34823 6.65893 8.67537 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 4.80778 3.84992 5.47256 9.58772 5.21958 8.83732 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.58803 5.68827 5.47256 9.04845 5.21958 8.83732 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 9.96967 10.124 5.47256 7.94325 5.21958 8.83732 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 6.31523 11.5628 5.47256 6.72323 5.21958 8.83732 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.94771 5.06821 9.24563 6.32097 3.42696 9.23863 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.03647 6.04066 6.23614 13.0845 6.88681 9.82043 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 7.03647 6.04066 6.23614 9.79196 4.55231 8.22922 numMergedOcc 0
