0 mol 88 unq 0 iso 0 dist 5.82918 4.0486 9.2603 6.64933 5.62882 9.54952 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 9.64544 3.96397 9.78235 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 9.30724 3.97343 6.99355 9.64544 3.96397 8.92069 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.90328 5.89399 4.76815 8.57112 4.07616 6.84197 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 5.44714 5.19652 6.81812 7.3324 3.85992 5.82487 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.95838 11.0075 7.44174 14.2444 9.54775 8.20715 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.47892 9.93013 7.44174 16 9.54775 8.20715 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 12.2227 6.45748 9.3169 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 12.2227 6.45748 5.5639 numMergedOcc 0
9 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 8.58421 6.45748 9.3169 numMergedOcc 0
10 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 8.58421 6.45748 5.5639 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 10.8173 13.0273 6.89245 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.02593 9.80448 7.36102 15.4649 9.97388 6.89245 numMergedOcc 0
13 mol 155 unq 2 iso 0 dist 8.77391 4.94973 7.36102 10.8173 9.97388 6.89245 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 6.00793 4.34476 5.72735 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.27907 10.2817 7.18041 13.3873 7.51787 6.48765 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 7.90156 11.7195 7.17547 17.3735 12.2094 6.48765 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 8.15287 9.7667 7.68645 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 9.40044 5.90766 8.36659 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 13.6493 10.7441 9.18913 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.19915 6.84447 8.21247 11.5631 6.84517 8.95981 numMergedOcc 0
