0 mol 5 unq 0 iso 0 dist 5.16484 7.47183 4.07788 3.85353 7.44029 7.95876 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.81027 7.4804 9.03147 9.23259 13.12 6.72869 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.40754 9.80802 7.17843 9.93158 7.32064 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.40754 9.80802 7.17843 11.5941 5.85007 5.77326 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 6.47746 9.80802 4.4651 9.93158 4.62314 6.85523 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 6.47746 9.80802 4.4651 11.5941 6.35234 5.77326 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.56534 6.12086 5.69671 14.1258 12.0576 8.27883 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 7.56534 6.12086 5.69671 9.66145 10.4457 5.75428 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 7.56534 6.12086 5.69671 9.58465 9.70292 8.57395 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 7.56534 6.12086 5.69671 4.62357 9.59704 9.85409 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.64521 7.96917 11.8455 8.79725 6.67635 9.77497 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.64521 7.70586 15.9176 4.89867 13.1362 9.89083 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 9.64521 7.86754 15.9327 4.89867 13.1362 8.52024 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 7.23036 5.94669 4.42285 8.30405 9.011 6.00603 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 5.44357 9.20372 5.6098 6.764 9.10434 9.27976 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.22459 6.2109 9.73435 6.10716 13.1452 8.77023 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 8.63549 6.90378 7.17402 9.67929 12.845 7.81207 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 8.63549 6.90378 7.17402 6.32951 9.15758 7.18002 numMergedOcc 0
18 mol 142 unq 2 iso 0 dist 8.63549 7.01955 7.01127 9.67929 12.845 6.14151 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.60389 5.39213 4.94882 10.6602 12.6102 8.73533 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 7.59064 9.07855 9.84081 11.2726 14.6534 5.85442 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 7.59064 9.07855 9.84081 9.26271 13.5401 6.95511 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 5.57053 9.25455 4.16039 6.62906 5.09181 7.80862 numMergedOcc 0
