0 mol 10 unq 0 iso 0 dist 6.74091 8.19933 9.0507 9.70065 9.07663 16.0172 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.87616 6.29106 4.08268 4.37231 5.7435 4.30695 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.87616 7.05626 4.24301 4.37231 5.7435 6.35398 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.61226 7.27643 6.06435 7.19972 6.88974 10.5933 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.79739 7.90081 6.06435 9.3487 6.88974 10.5933 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 8.80308 4.37642 7.71984 6.36193 5.93884 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.35101 8.80308 4.37642 4.67517 4.88613 7.68678 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 8.54119 8.01382 3.72318 7.97717 9.87719 10.414 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 5.16558 7.98453 4.31746 6.27668 9.46247 11.6703 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.62621 4.86532 10.4949 14.5145 8.86252 17.2202 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.16344 8.70427 9.74143 7.32041 8.35636 7.02927 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.99121 9.19273 12.7351 6.8104 4.98864 12.2743 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.30982 9.19273 9.25102 6.8104 7.95871 12.2743 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 6.30982 9.19273 9.25102 5.79342 9.80286 9.93331 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 6.12404 9.19273 4.08294 5.79342 6.48328 9.93331 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.87505 8.65287 11.0466 8.50937 5.49877 13.6341 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 5.7232 9.68996 14.6925 8.76089 9.50322 13.416 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.7232 9.68996 14.6925 6.80087 5.82404 11.8524 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.38623 9.83216 12.7343 7.01116 8.43038 13.7242 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 7.76856 6.07708 5.04427 11.3653 8.1088 12.1236 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.08796 9.0234 6.78739 10.9813 9.84952 5.94469 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.93515 9.0234 11.3693 10.7307 7.41378 14.8638 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.38022 8.88206 4.87337 6.75711 8.5119 6.1951 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 6.83539 8.84033 10.6456 4.41663 9.86371 10.9206 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 6.22747 8.84033 7.43844 4.41663 9.13552 10.9206 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 4.43243 7.87572 9.5878 5.03598 5.66569 9.89 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 5.92025 7.87572 5.55311 5.03598 6.11137 9.89 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 5.92025 7.87572 5.55311 5.6375 7.89744 7.1686 numMergedOcc 0
28 mol 236 unq 3 iso 0 dist 9.04819 7.87572 4.28296 5.6375 8.6417 7.1686 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.86805 5.62193 6.00136 4.97892 8.59986 10.1085 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 8.74168 6.70662 6.15348 4.75339 9.56149 9.70714 numMergedOcc 0
