0 mol 34 unq 0 iso 0 dist 7.01952 4.58552 3.39994 14.0196 9.41098 10.036 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 5.76961 9.47401 6.59528 5.6003 6.51117 11.7229 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.64934 8.7515 6.48468 5.9297 9.04293 4.78333 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.7515 8.64934 6.48468 5.9297 4.78333 9.04293 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 8.7515 8.64934 6.48468 11.3271 4.74254 10.8282 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.14226 5.78982 4.87973 5.00648 6.76852 4.94473 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 5.78982 8.14226 4.87973 5.00648 4.94473 6.76852 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 8.40821 9.86925 5.28985 4.69348 7.91458 10.9863 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.43904 7.01095 3.77838 5.34959 8.91326 8.33649 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 7.01095 9.43904 3.77838 5.34959 8.33649 8.91326 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.67168 7.74579 5.14122 4.97041 6.94594 11.1493 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.67168 7.74579 5.14122 6.50779 5.81881 10.4623 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 5.67168 5.86483 6.05141 4.97041 6.94594 9.89544 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 5.67168 5.86483 6.05141 6.50779 5.81881 9.84648 numMergedOcc 0
14 mol 186 unq 4 iso 0 dist 5.86483 5.67168 6.05141 11.366 9.4366 14.2971 numMergedOcc 0
15 mol 186 unq 5 iso 0 dist 5.86483 7.74579 3.51591 11.366 9.4366 12.7275 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 5.00369 9.26214 6.1208 5.80328 7.33774 12.5711 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 5.00369 9.26214 6.1208 3.68217 6.39122 10.3857 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.25329 4.85332 5.97842 4.84709 9.59928 7.70062 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 4.85332 8.25329 5.97842 4.84709 7.70062 9.59928 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 4.85332 8.25329 5.97842 4.16963 7.66702 11.1063 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.14294 5.72 3.58181 10.1968 8.88902 9.83916 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 8.14294 6.84052 8.23638 10.1968 8.88902 13.2186 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 5.1874 6.03081 4.8835 11.8913 8.60314 11.7605 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.78237 9.70101 8.39725 16.216 9.87744 17.9912 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 9.78237 9.95798 5.23295 16.216 9.87744 12.9889 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 6.22943 9.31056 5.99377 5.36842 9.21469 13.4531 numMergedOcc 0
