0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 7.92645 6.64852 8.38106 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.89568 4.80868 6.8892 9.77143 6.26414 5.70193 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 7.6948 6.67429 8.31647 10.9337 5.89121 8.30543 numMergedOcc 0
3 mol 6 unq 1 iso 0 dist 7.6948 6.67429 8.31647 9.68907 5.7654 9.94843 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 6.91627 4.60834 4.62913 numMergedOcc 0
5 mol 12 unq 1 iso 0 dist 5.25583 8.27891 8.15864 6.91627 4.60834 7.44542 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.35574 4.8335 8.68012 11.1053 6.20447 7.5203 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.88177 5.87263 8.078 9.96036 6.38538 7.52954 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 9.42064 9.45543 6.79959 13.9459 10.4989 6.36357 numMergedOcc 0
9 mol 103 unq 2 iso 0 dist 9.42064 9.45543 6.79959 13.8098 6.64985 5.52999 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.45451 12.0208 7.18976 16.1686 7.73112 9.7589 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 11.8017 5.9683 9.96416 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.61918 15.392 9.2759 11.8017 5.9683 7.17051 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.61918 15.6785 8.76088 11.8017 5.9683 5.9962 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.61918 15.6785 8.76088 16.7111 13.8877 8.61448 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 9.383 6.06679 5.58167 9.00323 10.7172 5.82577 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 4.43243 4.60599 8.20542 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 7.61854 8.73194 7.74348 5.92025 4.24722 5.6568 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.82741 14.8655 9.16988 16.9368 9.17097 7.93817 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 4.88105 9.56957 9.16988 12.3103 9.17097 7.93817 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 9.44057 6.36228 9.16988 13.0757 9.17097 7.93817 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 13.2153 15.4705 9.17911 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 8.62592 5.66907 9.52903 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 13.2153 13.8539 9.17911 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 8.62592 9.6053 9.52903 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 6.64109 10.9011 7.52632 10.2027 10.531 9.81689 numMergedOcc 0
26 mol 265 unq 1 iso 0 dist 8.57593 10.0903 7.52632 9.83854 10.531 9.81689 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 9.96682 5.02003 6.28023 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.90069 10.2133 9.22572 13.8444 8.43044 5.71656 numMergedOcc 0
