0 mol 0 unq 0 iso 0 dist 7.92645 6.51408 4.76239 4.80868 8.38106 7.96742 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.92645 8.53102 9.39951 4.80868 8.38106 12.8105 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.91627 5.76006 7.18195 5.77108 4.62913 5.9021 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 6.91627 5.76006 7.18195 8.27891 7.44542 12.2342 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 5.39032 7.96306 7.55357 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.48969 9.62895 10.5752 7.64564 5.44077 14.7822 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.65313 9.97224 14.6641 5.18597 6.71467 11.9519 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.65822 6.98876 8.14333 6.70235 9.8067 5.61016 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.30966 9.59193 8.81393 5.60671 5.28423 11.7081 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 9.72877 8.48633 10.3109 12.1506 8.08392 15.9848 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 6.06763 9.20346 10.576 5.30867 8.2968 10.5835 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 6.17825 4.61854 5.14305 11.4862 9.5942 13.7742 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 4.43243 6.02845 6.46022 11.7831 8.20542 14.3719 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 4.43243 9.35599 11.3284 11.7831 8.20542 19.1177 numMergedOcc 0
14 mol 236 unq 2 iso 0 dist 5.92025 6.02845 5.972 8.73194 5.6568 10.7247 numMergedOcc 0
15 mol 236 unq 3 iso 0 dist 5.92025 9.35599 10.9042 8.73194 5.6568 14.442 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.61428 5.59164 4.34203 4.63444 9.29888 5.57184 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 9.33399 9.744 5.37052 6.51459 8.96917 7.41298 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.33399 7.62827 4.58303 6.51459 8.96917 9.99337 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 6.74048 7.80528 5.24816 5.21462 5.17988 9.36171 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 6.74048 7.80528 5.24816 8.99739 8.76115 7.53352 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.62592 8.8726 3.95075 4.69752 9.52903 7.70189 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 9.83854 9.19106 13.5875 10.0903 9.81689 12.699 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.37044 4.28058 5.26936 4.76371 8.58119 4.49185 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.75212 7.78656 5.10813 12.9153 6.72 10.024 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.37044 4.28058 5.26936 4.76371 8.58119 4.49185 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.75212 7.78656 5.10813 12.9153 6.72 10.024 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.37044 4.28058 5.26936 4.76371 8.58119 4.49185 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.75212 7.78656 5.10813 12.9153 6.72 10.024 numMergedOcc 0
