0 mol 87 unq 0 iso 0 dist 8.21588 6.02518 6.97882 5.34066 5.62336 6.27329 12.5355 10.6122 7.2833 12.9302 numMergedOcc 0
1 mol 87 unq 1 iso 0 dist 6.62798 6.02518 9.4868 10.7803 9.90256 15.7737 12.5355 14.6808 7.2833 22.6766 numMergedOcc 0
2 mol 87 unq 2 iso 0 dist 6.62798 6.02518 9.4868 5.34066 5.63748 6.27329 12.5355 14.6808 7.2833 12.9302 numMergedOcc 0
3 mol 87 unq 3 iso 0 dist 8.15104 8.93266 6.97882 5.22028 5.62336 6.27329 14.5159 10.6122 7.2833 12.9302 numMergedOcc 0
4 mol 87 unq 4 iso 0 dist 9.94718 8.93266 9.4868 13.2349 9.90256 15.7737 14.5159 14.6808 7.2833 22.6766 numMergedOcc 0
5 mol 87 unq 5 iso 0 dist 9.94718 8.93266 9.4868 5.22028 5.63748 6.27329 14.5159 14.6808 7.2833 12.9302 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.8915 5.18043 7.52954 5.29804 8.078 6.38538 9.17671 5.56761 9.77978 7.68908 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 5.8915 5.18043 7.52954 8.4824 6.56481 6.78021 9.17671 5.56761 9.77978 10.7434 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 11.193 9.2759 5.9683 12.3974 6.53637 8.75007 6.29879 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 12.3139 9.2254 4.43567 14.359 8.76824 8.40514 12.1911 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 9.55621 10.2744 5.82577 9.61673 5.58167 10.7172 13.5768 9.38569 5.95841 14.8352 numMergedOcc 0
11 mol 187 unq 1 iso 0 dist 9.55621 10.2744 5.82577 12.9459 8.0501 4.75665 13.5768 9.38569 5.95841 9.90752 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 6.07498 6.34135 8.94864 6.28041 8.1907 9.77899 8.5397 4.07548 9.99509 7.82113 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 11.6957 5.5367 7.95977 7.52692 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 18.2237 15.6599 8.17025 18.6234 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 11.6957 5.5367 7.95977 11.7737 numMergedOcc 0
16 mol 204 unq 3 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 18.2237 15.6599 8.17025 20.0059 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 12.5471 5.86839 6.67537 9.6897 4.79799 8.00688 8.96503 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 8.64849 8.63134 9.5942 9.4366 8.52996 4.31761 8.99521 9.17371 6.54042 9.82101 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.46484 5.05085 5.6568 5.81446 7.74348 4.24722 7.89041 6.63806 9.56736 8.24184 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 8.80671 10.8749 5.6568 14.8289 7.74348 4.24722 15.2353 6.63806 9.56736 8.24184 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.41656 5.81104 9.70244 11.5921 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.41656 5.81104 9.70244 11.5921 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.41656 5.81104 9.70244 11.5921 numMergedOcc 0
