0 mol 48 unq 0 iso 0 dist 7.55854 9.29102 3.60325 12.2035 7.52915 10.0585 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.48669 8.30446 3.60325 6.97305 7.52915 10.0585 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 9.23692 8.3038 9.78016 11.6409 9.9421 17.5483 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 9.91572 8.58588 12.4786 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.18358 6.29801 5.73969 5.81115 6.96066 4.5892 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.79535 9.57352 14.0189 11.3237 6.26491 18.6382 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.33521 9.57352 6.41397 5.35193 5.4421 10.4722 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.91055 7.30934 7.8463 6.81831 9.56911 12.2233 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 5.61418 9.39313 6.41542 8.04448 5.24616 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.14782 5.91023 3.8493 10.5613 8.18252 5.85622 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 8.49806 5.91023 3.78499 10.5613 7.55531 5.85622 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 6.25857 9.15172 12.8261 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 9.04398 6.38269 8.81921 5.73195 8.68123 10.9185 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 9.04398 7.11196 6.384 5.73195 8.68123 10.3872 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.80094 8.47439 15.207 11.4575 8.35869 19.8506 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 4.76689 7.22473 3.48905 5.42082 6.23198 9.42473 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 4.76689 6.02628 3.43711 5.42082 6.23198 4.20369 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 7.26455 7.22473 7.46252 5.42082 8.82216 9.42473 numMergedOcc 0
18 mol 260 unq 3 iso 0 dist 7.26455 6.02628 7.63469 5.42082 8.82216 4.20369 numMergedOcc 0
19 mol 260 unq 4 iso 0 dist 8.79012 7.13397 3.48905 12.4464 6.23198 9.42473 numMergedOcc 0
20 mol 260 unq 5 iso 0 dist 8.79012 5.33278 8.84611 12.4464 6.23198 10.4508 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 6.20857 7.08918 8.90381 8.75845 6.38555 11.6563 numMergedOcc 0
