0 mol 24 unq 0 iso 0 dist 7.40392 8.15652 4.33963 8.23069 5.54419 4.93188 8.59466 7.36323 9.24958 12.3067 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.15652 4.33963 8.59466 7.36323 9.24958 8.23069 5.54419 4.93188 12.3067 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.77833 4.67358 9.03317 5.33532 9.65964 6.54023 9.17087 10.1773 9.31969 5.22626 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 6.31237 7.63006 5.60279 6.26149 7.89459 9.97569 10.119 10.1664 8.16733 7.49897 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.26438 9.9387 15.9335 5.68669 8.69985 13.8663 10.4339 15.7525 8.67766 10.4404 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.26438 9.9387 15.9335 5.68669 8.69985 13.8663 4.91393 13.1098 8.0831 7.15843 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 4.9102 7.71338 6.43433 6.84034 12.603 9.92283 5.0812 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.66715 8.37793 8.28698 14.0905 7.11802 10.5656 13.2145 13.268 6.76699 11.965 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.00172 8.37793 5.74088 15.719 6.80239 11.1595 13.2145 6.29155 6.76699 7.81217 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 9.00172 8.37793 5.74088 14.0905 8.00618 10.5656 13.2145 6.29155 6.76699 11.965 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 5.79157 5.8367 5.12325 13.0109 9.86662 8.20836 11.9678 11.3835 7.36779 5.62899 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 5.79157 5.8367 5.12325 14.1608 9.71307 10.873 11.9678 11.3835 7.36779 10.7144 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 5.79157 5.8367 5.12325 14.1608 9.71307 10.873 13.0109 9.86662 8.20836 5.49782 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 8.95071 9.33359 7.00028 18.4732 9.99038 11.9847 12.8358 6.27581 8.50331 7.28249 numMergedOcc 0
14 mol 248 unq 0 iso 0 dist 7.40475 9.08064 5.99459 7.63032 7.69895 6.17052 6.42334 7.21521 9.77666 5.55137 numMergedOcc 0
15 mol 248 unq 1 iso 0 dist 7.40475 9.08064 5.99459 6.42334 7.21521 9.77666 7.63032 7.69895 6.17052 5.55137 numMergedOcc 0
16 mol 248 unq 2 iso 0 dist 7.40475 9.08064 5.99459 6.86606 8.2965 13.0539 7.63032 7.69895 6.17052 10.8081 numMergedOcc 0
17 mol 248 unq 3 iso 0 dist 7.40475 9.08064 5.99459 6.86606 8.2965 13.0539 6.42334 7.21521 9.77666 5.86196 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 6.17985 8.62351 5.89666 6.79111 8.1148 8.47784 14.2609 14.2744 8.66469 13.2361 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 6.17985 8.62351 5.89666 6.02958 8.33025 12.0482 6.79111 8.1148 8.47784 6.0987 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 6.17985 8.62351 5.89666 6.02958 8.33025 12.0482 14.2609 14.2744 8.66469 18.3074 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.80409 5.67349 6.04016 4.63237 9.14619 5.26434 6.39263 8.45658 8.60026 7.00201 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 9.80409 5.67349 6.04016 6.39263 8.45658 8.60026 4.63237 9.14619 5.26434 7.00201 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.77765 5.78275 12.0308 9.62211 8.15665 12.1586 9.13951 14.9913 7.91611 10.7815 numMergedOcc 0
