0 mol 14 unq 0 iso 0 dist 6.3453 7.37113 5.71901 6.62231 6.58303 9.88657 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.98958 4.80565 5.71901 8.62289 6.58303 9.88657 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 9.23209 4.76335 6.56878 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 7.96502 6.97911 4.628 9.23209 4.76335 6.56395 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 13.6999 9.3473 22.1001 16.0902 8.58684 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.16791 15.4318 7.09393 13.8312 6.34034 8.69782 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.16791 15.4318 7.09393 16.3239 8.85272 9.35592 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 9.16791 11.6163 3.87167 13.8312 6.34034 7.69888 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 9.16791 11.6163 3.87167 16.3239 8.85272 9.6155 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.98532 5.38868 8.67865 5.35254 11.8426 8.11757 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.98532 5.80362 8.40148 5.35254 11.8426 9.4667 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.11102 15.1019 9.95726 19.3728 12.4507 9.63311 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.3097 11.948 8.56593 13.5338 7.62393 7.66464 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.4413 13.2694 9.71692 10.1166 3.86862 9.74552 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.62609 13.3379 9.73708 10.327 3.90931 9.86146 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.54771 4.76145 8.40442 14.3571 13.1925 9.99307 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 9.3355 5.50567 6.25455 13.2317 5.82302 8.22236 numMergedOcc 0
17 mol 199 unq 0 iso 0 dist 7.22303 5.56055 9.88917 10.6537 11.0022 8.73522 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.32703 5.55239 5.2851 5.46388 6.34942 7.60093 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 8.25412 5.34424 5.2851 10.5706 6.34942 7.60093 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.49961 13.8894 8.34832 6.00139 5.55077 9.46904 numMergedOcc 0
