0 mol 11 unq 0 iso 0 dist 5.90781 8.06254 6.06216 8.89652 12.8789 9.88519 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.22911 5.80996 6.40941 6.00278 6.76484 5.66861 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 9.90794 5.80996 6.40069 6.00278 10.6102 5.66861 numMergedOcc 0
3 mol 53 unq 2 iso 0 dist 6.87621 5.80996 4.73128 6.00278 9.77794 5.66861 numMergedOcc 0
4 mol 53 unq 3 iso 0 dist 6.76484 5.66861 6.40941 6.00278 6.22911 5.80996 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.56547 7.74952 9.18905 10.8309 16.9966 8.99674 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 5.23177 7.74952 8.00102 10.8309 14.6187 8.99674 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 6.77052 7.74952 11.1564 10.8309 17.0407 8.99674 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.3098 8.22984 6.8344 5.35519 9.90038 6.6157 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 7.3098 8.22984 6.8344 9.94989 13.1712 7.37771 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 9.90038 6.6157 6.8344 5.35519 7.3098 8.22984 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 9.90038 6.6157 6.8344 5.0211 13.1712 7.37771 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 9.22679 7.42186 5.93473 3.65652 10.0655 5.98187 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 9.22679 7.42186 5.93473 8.81087 14.1028 9.47346 numMergedOcc 0
14 mol 153 unq 0 iso 0 dist 6.19646 6.36853 5.39952 8.52951 10.8465 7.20553 numMergedOcc 0
15 mol 153 unq 1 iso 0 dist 5.87311 7.20553 6.60934 8.52951 11.6238 6.36853 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.72322 7.13199 6.83901 7.26245 12.4715 9.58371 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.66622 5.21339 9.00319 8.14731 14.7528 6.34867 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.80478 5.62568 8.18822 12.8716 13.8513 8.82948 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.80478 5.62568 8.18822 12.8716 13.8513 8.82948 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.80478 5.62568 8.18822 12.8716 13.8513 8.82948 numMergedOcc 0
