0 mol 25 unq 0 iso 0 dist 7.0928 11.7941 7.05196 10.2544 4.69295 8.07318 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 11.7941 7.05196 17.948 11.6045 7.44277 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 10.4149 6.75943 5.19462 5.07458 8.34145 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.28737 15.5785 9.85905 19.4128 15.4159 9.59729 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 8.89514 10.0938 7.47974 16.7713 10.4274 8.05579 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 9.51842 5.87704 7.47974 6.00509 10.4274 8.05579 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 8.25651 5.87704 5.51831 6.00509 6.13636 8.05579 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.22406 4.57682 9.36001 11.4748 6.77937 9.99441 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.63658 8.43423 5.56994 13.2464 6.09562 7.31064 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.14071 5.22333 5.58833 7.11486 6.16616 8.25397 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 4.93035 6.48796 8.07097 11.6751 13.2918 7.92216 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.72463 9.42107 5.40637 13.0453 4.78563 9.29944 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 6.01118 5.23156 7.06025 8.74572 10.8974 7.86352 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 13.5316 9.61454 6.69042 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 9.06306 4.44853 7.94911 7.31478 4.72944 7.90657 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 6.83122 12.8946 7.46481 21.9808 16.8346 9.43017 numMergedOcc 0
16 mol 217 unq 0 iso 0 dist 9.55587 8.82273 7.60269 13.5948 4.64118 9.37602 numMergedOcc 0
17 mol 217 unq 1 iso 0 dist 9.38111 5.5145 7.60269 12.8408 4.64118 9.37602 numMergedOcc 0
18 mol 217 unq 2 iso 0 dist 8.28941 10.7302 7.60269 5.01648 4.64118 9.37602 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.14277 5.85969 5.56538 13.1383 8.34852 8.14294 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 7.14277 9.34147 7.48954 13.1383 8.34852 5.72 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.13194 13.1414 9.72188 15.8628 10.4706 4.66186 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.80166 6.10342 9.72188 9.97859 10.4706 4.66186 numMergedOcc 0
