0 mol 14 unq 0 iso 0 dist 8.13983 5.2767 8.73627 11.3232 9.55728 7.04966 11.0431 5.38909 8.69369 5.68897 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.45858 8.1206 8.73627 12.9293 9.55728 7.04966 10.9113 5.38909 8.69369 5.68897 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 5.98953 5.84479 13.1436 5.66097 7.88676 13.862 5.32694 8.67719 6.06561 numMergedOcc 0
3 mol 175 unq 0 iso 0 dist 8.58906 7.44933 9.57611 7.7013 5.52686 6.03184 11.3098 9.24932 5.08206 5.73338 numMergedOcc 0
4 mol 206 unq 0 iso 0 dist 9.78438 10.2556 8.31638 10.7989 7.20088 7.65323 14.1524 5.18293 9.99185 6.68626 numMergedOcc 0
5 mol 206 unq 1 iso 0 dist 9.78438 4.58247 9.72979 11.626 12.1408 8.63033 10.1863 7.08143 6.97859 9.19627 numMergedOcc 0
6 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 14.5968 11.4653 7.62593 8.46129 5.0744 7.39839 12.5358 numMergedOcc 0
7 mol 224 unq 1 iso 0 dist 8.46129 9.97999 7.39839 14.5968 12.5358 7.62593 8.39002 5.0744 9.33771 11.4653 numMergedOcc 0
8 mol 231 unq 0 iso 0 dist 8.01942 7.25343 6.14348 14.4754 10.2117 7.28719 9.97221 4.06055 7.79865 10.9863 numMergedOcc 0
9 mol 231 unq 1 iso 0 dist 8.01942 7.25343 6.14348 12.7836 6.95128 6.60684 9.97221 4.06055 7.79865 8.54452 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 9.13537 4.34203 6.83152 9.29888 9.76195 5.57184 9.01016 5.42006 5.24313 7.01206 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 17.0768 12.5843 6.18866 12.8391 8.34718 5.78121 6.28944 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 8.94023 11.2158 7.29898 16.4949 12.5843 6.18866 12.9036 8.34718 5.78121 6.28944 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.59174 5.24482 6.09782 13.2187 5.57797 8.57305 10.3054 4.26007 5.81927 6.51074 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 13.3227 13.6207 8.73077 9.73107 4.69778 9.58006 16.6797 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 5.90645 6.13878 6.77279 12.4319 10.908 6.76656 9.73107 4.69778 9.58006 12.7595 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.09967 5.66978 7.79904 6.28023 5.7574 6.12202 8.49076 12.8986 9.02749 7.23876 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.09967 10.88 9.86142 17.0553 11.3921 9.07452 12.0329 5.34251 7.80446 6.11218 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.09967 10.88 9.86142 11.8304 6.99898 6.44266 12.0329 5.34251 7.80446 6.98398 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 8.49076 5.66978 9.02749 6.28023 7.23876 6.12202 9.09967 12.8986 7.79904 5.7574 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 8.96343 13.4151 9.02914 14.1301 6.16829 6.23539 17.2552 9.50605 8.57532 6.13402 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 8.96343 13.4151 9.02914 14.1301 6.16829 6.23539 9.71491 7.08227 6.90434 7.44724 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.29635 15.5244 6.90434 16.5458 7.44724 6.23539 21.9597 12.7728 8.57532 6.13402 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 9.29635 15.5244 6.90434 16.5458 7.44724 6.23539 14.3464 7.08227 9.02914 6.16829 numMergedOcc 0
