0 mol 24 unq 0 iso 0 dist 7.40392 8.15652 4.33963 8.23069 5.54419 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.15652 4.33963 8.59466 7.36323 9.24958 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.77833 4.67358 9.03317 5.33532 9.65964 6.54023 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 8.82052 4.18004 9.53239 7.97049 10.7271 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.9795 8.82052 4.18004 13.0232 6.19965 10.255 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 6.31237 7.63006 5.60279 6.26149 7.89459 9.97569 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.26438 9.9387 15.9335 5.68669 8.69985 13.8663 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 4.9102 7.71338 6.43433 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.66715 8.37793 8.28698 14.0905 7.11802 10.5656 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.00172 8.37793 5.74088 13.2145 6.29155 6.76699 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.00172 8.37793 5.74088 15.719 6.80239 11.1595 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 9.00172 8.37793 5.74088 14.0905 8.00618 10.5656 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.79157 5.8367 5.12325 13.0109 9.86662 8.20836 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 5.79157 5.8367 5.12325 14.1608 9.71307 10.873 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.53913 6.6276 5.48292 12.4033 9.87651 13.8512 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.67271 5.36962 4.46081 6.184 9.96154 8.47347 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 5.92907 9.95951 5.96694 5.35615 7.56373 12.6146 numMergedOcc 0
17 mol 209 unq 1 iso 0 dist 5.92907 6.43914 4.90038 5.35615 7.56373 8.41195 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.43611 9.11795 6.00534 11.2069 8.82096 14.1229 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.95071 9.33359 7.00028 18.4732 9.99038 11.9847 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 8.95071 9.33359 7.00028 12.8358 6.27581 8.50331 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.40475 9.08064 5.99459 7.63032 7.69895 6.17052 numMergedOcc 0
22 mol 248 unq 1 iso 0 dist 7.40475 9.08064 5.99459 6.42334 7.21521 9.77666 numMergedOcc 0
23 mol 248 unq 2 iso 0 dist 7.40475 9.08064 5.99459 6.86606 8.2965 13.0539 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.17985 8.62351 5.89666 6.79111 8.1148 8.47784 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 6.17985 8.62351 5.89666 6.02958 8.33025 12.0482 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.2067 8.43941 5.27959 9.88911 6.42289 9.53063 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.80409 5.67349 6.04016 4.63237 9.14619 5.26434 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.80409 5.67349 6.04016 6.39263 8.45658 8.60026 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.91518 9.06043 6.54009 12.8387 8.44326 10.8604 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.77765 5.78275 12.0308 9.62211 8.15665 12.1586 numMergedOcc 0
