0 mol 28 unq 0 iso 0 dist 9.83168 8.91922 4.656 13.0423 8.70005 13.0402 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 7.80117 5.46849 7.90905 7.53564 9.79386 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 9.79386 5.46849 7.90905 8.58709 7.80117 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 5.7576 8.69689 13.6926 7.53504 15.4845 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.40844 5.7576 8.0072 14.5875 7.02351 13.0161 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.40844 5.7576 8.0072 13.6926 8.66342 15.4845 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.99156 5.7576 9.61302 13.6926 7.21285 15.4845 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.62536 7.75075 7.1203 10.9425 9.51608 12.6948 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 9.29934 8.5477 11.9571 5.19555 6.7293 12.3897 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 6.2491 8.73798 4.05759 5.4823 3.59451 5.24616 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 3.59451 5.24616 4.05759 5.4823 6.2491 8.73798 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.73836 9.5434 8.94532 12.0662 9.61113 13.6468 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.26291 8.12319 4.81304 13.7304 7.86001 9.04366 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.86001 9.04366 4.81304 13.7304 8.26291 8.12319 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 5.19654 6.10013 3.41036 13.1729 9.16852 10.8116 numMergedOcc 0
15 mol 193 unq 1 iso 0 dist 5.19654 6.10013 3.41036 8.96814 8.6538 11.1216 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.75468 9.32305 4.59403 9.83283 7.80496 11.1151 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 8.75468 9.32305 4.59403 7.23892 8.60479 11.2479 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 4.46314 4.76819 3.79439 9.5675 7.33708 10.9832 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 8.04265 7.54349 6.40957 7.56661 9.42193 13.2547 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 9.42193 7.38867 8.56684 7.56661 8.04265 12.5807 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.3298 4.20369 9.7119 10.3809 9.05149 12.0556 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 8.3298 6.4165 10.9484 10.3809 9.05149 15.2122 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 9.64886 9.90119 12.0622 9.90349 9.56414 15.1413 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.96645 9.76634 14.3277 7.90361 9.2447 16.6066 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 9.29005 9.76634 13.8247 7.42692 7.24089 14.3206 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.88102 5.16266 8.61444 11.2306 5.25218 12.483 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 7.88102 5.16266 8.61444 10.2609 8.31465 11.941 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 9.61122 9.49871 13.0024 4.37277 9.95684 11.2035 numMergedOcc 0
