0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 8.15652 4.33963 4.93188 9.24958 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 8.15652 4.33963 9.24958 4.93188 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 13.1618 9.06158 9.93832 8.60739 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 13.1618 9.06158 8.60739 9.93832 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 11.2885 9.06158 9.93832 8.60739 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 11.2885 9.06158 8.60739 9.93832 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 17.7383 7.91778 7.33422 12.3486 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.00172 13.2145 6.29155 15.719 6.80239 7.81217 8.37793 5.74088 6.76699 11.1595 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.00172 13.2145 6.29155 14.0905 8.00618 11.965 8.37793 5.74088 6.76699 10.5656 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 5.8367 5.12325 8.20836 10.873 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 10.5295 6.70283 7.65448 13.8395 9.35627 9.77552 8.28642 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.34839 5.65129 8.56324 10.7929 7.16148 10.6875 13.8395 9.35627 9.77552 13.1536 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 13.8395 9.35627 8.28642 9.77552 numMergedOcc 0
13 mol 152 unq 3 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 13.8395 9.35627 8.28642 13.1536 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 11.1919 9.06952 6.84129 14.0993 9.62106 8.92743 9.45972 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 8.95071 12.8358 6.27581 18.4732 9.99038 7.28249 9.33359 7.00028 8.50331 11.9847 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 6.42334 7.21521 5.55137 9.08064 5.99459 6.17052 9.77666 numMergedOcc 0
17 mol 248 unq 1 iso 0 dist 7.40475 7.63032 7.69895 6.86606 8.2965 10.8081 9.08064 5.99459 6.17052 13.0539 numMergedOcc 0
18 mol 248 unq 2 iso 0 dist 7.40475 6.42334 7.21521 7.63032 7.69895 5.55137 9.08064 5.99459 9.77666 6.17052 numMergedOcc 0
19 mol 248 unq 3 iso 0 dist 7.40475 6.42334 7.21521 6.86606 8.2965 5.86196 9.08064 5.99459 9.77666 13.0539 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 6.02958 8.33025 6.0987 11.5719 9.32326 6.11473 10.7615 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 6.17985 6.79111 8.1148 6.02958 8.33025 6.0987 8.62351 5.89666 8.47784 12.0482 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 6.17985 6.79111 8.1148 6.02958 8.33025 6.0987 11.7534 11.056 6.53679 7.50201 numMergedOcc 0
23 mol 252 unq 3 iso 0 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 11.7534 11.056 7.50201 6.53679 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 6.39263 8.45658 7.00201 5.67349 6.04016 5.26434 8.60026 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 4.63237 9.14619 7.00201 5.67349 6.04016 8.60026 5.26434 numMergedOcc 0
