0 mol 10 unq 0 iso 0 dist 9.06457 15.4256 7.93277 5.04413 7.14537 12.2644 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.71617 8.02814 9.78134 4.98274 5.09702 11.1943 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.23033 10.6411 8.21247 9.74667 8.34145 15.2071 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.31516 12.6452 5.63499 10.8961 5.40489 7.73958 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.0318 9.57704 7.318 6.2804 8.51259 5.71097 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.2454 6.40513 5.58681 7.75121 8.16401 4.21899 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.71722 15.1642 9.8896 7.07978 5.42044 8.2382 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.58666 14.4523 6.6536 14.9788 6.96745 8.8974 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 9.35772 11.1313 8.9078 11.0863 8.40821 7.68025 numMergedOcc 0
9 mol 157 unq 1 iso 0 dist 9.35772 9.8171 6.07906 11.0863 8.40821 5.43167 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 8.95292 15.6007 9.66676 13.0899 8.75024 5.03109 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 5.08438 9.10689 6.65077 4.65091 6.396 6.04748 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.46235 12.3099 8.99484 9.18805 9.37602 4.76575 numMergedOcc 0
13 mol 217 unq 1 iso 0 dist 8.46235 12.3099 8.99484 6.07874 8.26522 11.715 numMergedOcc 0
14 mol 217 unq 2 iso 0 dist 5.27487 13.5035 8.99484 13.3672 9.37602 4.76575 numMergedOcc 0
15 mol 217 unq 3 iso 0 dist 5.27487 13.5035 8.99484 8.6943 8.26522 11.715 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 5.07975 10.4672 7.99441 6.84149 8.14294 6.4817 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 4.85015 10.4672 6.71817 6.84149 5.72 6.4817 numMergedOcc 0
18 mol 222 unq 2 iso 0 dist 8.15345 10.4672 8.41524 6.84149 6.84052 6.4817 numMergedOcc 0
19 mol 222 unq 3 iso 0 dist 8.15345 10.4672 8.41524 12.7709 9.58086 8.05936 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 4.36956 4.81997 7.93194 5.39025 6.03081 3.89748 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 4.36956 4.81997 7.93194 4.3433 5.1874 5.99438 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.18813 5.95045 6.42951 13.3706 7.16209 13.1828 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.18813 5.95045 6.42951 12.1739 4.62936 10.6994 numMergedOcc 0
