0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 9.87885 7.92429 5.35168 13.2247 9.36807 8.70159 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.31201 8.70159 8.50789 6.1206 4.40641 5.35168 13.2247 10.672 6.28925 9.87885 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 8.70159 7.58143 6.1206 7.92429 5.35168 13.2247 6.36911 6.28925 9.87885 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 5.36766 8.624 11.9307 9.74228 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 8.24309 11.9814 11.4456 6.21799 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 9.73086 6.15714 10.4668 5.4148 4.65521 9.79143 7.4369 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.65521 9.79143 13.2106 7.4369 6.15714 10.4668 5.4148 8.70133 9.33919 9.73086 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 9.10189 9.30559 4.24369 7.51139 8.40245 9.68157 12.1547 11.375 9.87388 7.80898 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 8.66514 6.066 7.39092 7.80898 7.15936 6.29943 12.1547 14.3557 10.0313 7.51139 numMergedOcc 0
9 mol 88 unq 2 iso 0 dist 9.25235 6.066 8.30564 7.80898 10.8763 6.29943 12.1547 17.4216 10.0313 7.51139 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 6.03703 7.19937 6.73645 6.89918 6.545 3.92897 4.35917 7.61505 10.0208 7.89457 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.94837 8.65986 12.3237 9.00918 5.58312 15.3248 14.069 11.0162 21.0114 9.10524 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.94837 8.65986 12.3237 7.99477 9.61537 15.8799 6.90348 13.0127 15.1156 5.35237 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.98142 8.47008 5.3049 9.01624 12.2513 8.25265 11.5866 16.7285 13.0425 5.05973 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 7.37327 8.47008 10.8044 9.01624 14.8923 8.25265 11.5866 18.3916 13.0425 5.05973 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 4.87541 5.40597 7.57664 4.33238 3.78261 4.27314 7.02195 10.105 7.66784 7.83604 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 8.1945 3.92979 5.95485 13.3965 9.88956 9.88976 6.50998 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 9.5707 6.35438 10.0213 7.81215 11.8229 4.76962 10.2693 11.8897 9.57132 5.64285 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 7.85175 6.35438 6.81789 7.81215 10.5304 4.76962 10.2693 13.0678 9.57132 5.64285 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 9.39181 9.07916 4.86801 5.64285 6.45373 5.43679 10.2693 10.475 12.2772 7.81215 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 9.39181 9.57132 5.16504 5.64285 6.45373 4.76962 10.2693 10.475 6.35438 7.81215 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 6.98084 7.48753 6.12136 8.19317 4.47008 5.67913 7.218 7.32211 9.22081 5.1823 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 6.98084 7.48753 6.12136 6.29377 7.34601 4.80217 7.218 7.32211 9.22081 5.70635 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 7.66153 14.0829 11.464 4.69778 10.9591 11.9769 9.07743 numMergedOcc 0
