0 mol 46 unq 0 iso 0 dist 5.41906 7.19406 4.76522 6.35731 5.73092 6.70122 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 9.36203 4.85282 5.56678 6.02731 9.49599 7.46975 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.61029 8.25884 13.9975 8.59945 9.61251 10.0241 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 8.86276 8.55237 8.78457 6.03852 6.41399 10.0548 numMergedOcc 0
4 mol 141 unq 1 iso 0 dist 8.86276 8.55237 8.78457 6.26056 7.80457 4.12065 numMergedOcc 0
5 mol 141 unq 2 iso 0 dist 6.75212 7.80661 4.38796 8.97069 12.0081 10.0548 numMergedOcc 0
6 mol 141 unq 3 iso 0 dist 6.75212 7.80661 4.38796 5.7251 5.54115 4.12065 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.69943 8.94007 11.2108 5.53183 4.2281 7.38323 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 9.1469 8.65601 14.0735 8.66298 14.4364 11.297 numMergedOcc 0
9 mol 180 unq 1 iso 0 dist 9.1469 5.78414 10.3303 8.66298 14.4364 4.11186 numMergedOcc 0
10 mol 180 unq 2 iso 0 dist 5.9064 8.65601 13.2852 8.66298 8.09502 11.297 numMergedOcc 0
11 mol 180 unq 3 iso 0 dist 5.9064 5.78414 4.80648 8.66298 8.09502 4.11186 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.09552 9.75853 8.912 8.96031 15.2335 13.9566 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.09552 9.37765 11.641 9.56023 6.73937 6.24225 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 9.90742 8.09572 11.0252 4.83135 13.2137 10.2655 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 5.73488 9.60654 12.0928 8.65088 7.50636 7.43844 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 5.73488 7.11262 5.21233 8.65088 7.50636 4.32093 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 7.72115 8.73545 5.5881 5.83278 9.04257 11.4985 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 7.72115 8.14581 5.60683 5.83278 9.04257 5.74726 numMergedOcc 0
19 mol 233 unq 2 iso 0 dist 6.43615 8.73545 11.4518 5.83278 5.32363 11.4985 numMergedOcc 0
20 mol 233 unq 3 iso 0 dist 6.43615 8.14581 3.75722 5.83278 5.32363 5.74726 numMergedOcc 0
