0 mol 67 unq 0 iso 0 dist 8.57393 8.59074 5.70192 7.26324 9.0008 4.31746 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.57393 10.4436 7.65646 7.26324 9.0008 7.58981 numMergedOcc 0
2 mol 67 unq 2 iso 0 dist 6.04885 8.36652 5.70192 10.2724 9.0008 4.31746 numMergedOcc 0
3 mol 67 unq 3 iso 0 dist 6.04885 6.53985 7.65646 10.2724 9.0008 7.58981 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 5.42653 7.17147 9.30724 9.48551 9.56752 11.109 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 8.71991 13.7205 9.30724 7.0274 9.56752 11.109 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.01727 11.6306 7.90328 5.22561 7.09065 12.9454 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.68825 6.21393 8.42487 9.41836 9.07734 4.1431 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.53104 7.85305 5.58063 5.98956 7.52142 4.08294 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.87854 13.3215 8.95838 8.10869 7.26955 12.2067 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.87854 6.17994 9.47892 8.10869 7.26955 4.09788 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 8.48719 9.27614 9.77771 4.96984 6.50043 6.27901 numMergedOcc 0
12 mol 146 unq 1 iso 0 dist 8.48719 9.27614 9.77771 7.70916 9.44952 11.2713 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.3102 5.92269 8.07915 6.35087 8.28564 5.03347 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.25629 5.95123 7.97801 6.38252 8.39475 4.80033 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 9.41487 7.45223 8.91189 4.87811 5.9032 6.69743 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 5.87728 7.11382 9.554 5.71349 9.75763 12.3981 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 5.29147 5.47316 9.86352 4.84643 9.55606 4.32206 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.7483 7.43933 9.61294 4.45459 7.17337 6.36084 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.48307 6.41922 5.648 15.585 9.01462 10.2859 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 8.62569 9.15071 8.44015 9.62076 5.91213 5.29885 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 7.05438 4.80326 8.56029 10.7441 7.48235 8.73566 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 7.08899 10.9341 8.56029 3.5882 7.48235 8.73566 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.15628 11.7507 7.12793 14.2963 8.87606 4.57255 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 7.15628 11.1933 6.21208 14.2963 8.87606 4.44552 numMergedOcc 0
