0 mol 26 unq 0 iso 0 dist 9.63803 13.9089 9.56639 6.66387 5.84066 7.35595 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.22183 5.14352 9.60699 4.82659 6.79475 8.52538 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 6.56549 10.4277 9.53382 6.72058 6.78936 10.1674 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 7.55644 4.78712 5.10735 6.1164 9.86405 7.54528 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.33961 8.19607 6.74197 4.45424 4.44979 10.1356 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.29816 13.8287 6.74197 9.31771 4.44979 10.1356 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.08983 4.67787 6.74197 9.47873 4.44979 10.1356 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.30089 7.12319 7.22752 5.49138 8.38791 5.38332 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.30089 7.12319 7.22752 5.64346 8.86037 5.23865 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 4.77996 4.59061 7.77418 6.40435 6.12922 10.9659 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.90003 7.49885 6.88175 6.02826 6.55202 10.06 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.13697 12.0027 6.41759 5.90631 5.52149 6.63186 numMergedOcc 0
12 mol 144 unq 0 iso 0 dist 7.46026 12.3102 6.03283 13.6501 9.09684 7.47518 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 8.63858 7.29911 7.441 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 7.25009 11.1511 8.14405 4.40049 5.36254 6.79302 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 7.30338 5.97401 5.21801 6.39941 7.06851 5.09374 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 7.85801 13.518 8.28942 7.57363 5.79911 6.8779 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.96382 5.12308 5.41453 13.1765 7.39547 11.6924 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 6.96382 5.12308 5.41453 8.92175 7.24334 5.61491 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 9.01651 8.53302 5.52484 14.1218 8.53041 7.35295 numMergedOcc 0
20 mol 247 unq 1 iso 0 dist 8.83903 9.26852 5.52484 9.55655 8.53041 7.35295 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 7.27503 6.67281 8.01717 10.3966 8.5613 11.1972 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 7.27503 6.67281 8.01717 5.51525 5.7791 5.84368 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 8.4275 7.50871 8.39635 6.40657 9.60574 11.0363 numMergedOcc 0
