0 mol 16 unq 0 iso 0 dist 6.36377 9.05346 6.2983 10.1011 10.9143 6.58035 18.0677 16.9205 10.9633 8.41862 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 5.24961 9.55515 7.64585 13.8388 14.4084 12.0796 9.66954 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 5.59449 6.85062 6.91348 10.3644 6.6499 10.2027 9.51418 numMergedOcc 0
3 mol 155 unq 0 iso 0 dist 6.7973 9.16944 4.9093 10.1253 12.1555 9.87281 15.9608 13.9869 10.1369 8.65888 numMergedOcc 0
4 mol 155 unq 1 iso 0 dist 6.7973 9.16944 4.9093 10.1253 12.1555 9.87281 13.3067 10.7896 6.0706 8.27111 numMergedOcc 0
5 mol 155 unq 2 iso 0 dist 6.7973 9.16944 4.9093 9.88413 11.6934 8.87452 13.3067 10.7896 6.0706 7.68368 numMergedOcc 0
6 mol 155 unq 3 iso 0 dist 4.44292 7.62575 5.40375 14.7279 13.5605 9.86313 12.2882 9.36596 7.63368 7.16254 numMergedOcc 0
7 mol 155 unq 4 iso 0 dist 4.44292 7.62575 5.40375 10.4606 10.7829 7.51198 12.2882 9.36596 7.63368 9.14392 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.58911 8.45395 10.5753 9.47799 9.94371 6.94688 5.41368 5.88819 5.3528 6.71012 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.58911 5.41368 5.88819 9.47799 9.94371 6.71012 8.45395 10.5753 5.3528 6.94688 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 7.0843 8.27907 6.05563 10.2817 10.3145 7.18041 12.023 8.36122 9.17818 7.17547 numMergedOcc 0
11 mol 218 unq 1 iso 0 dist 7.73315 8.27907 9.68444 10.2817 10.9501 7.18041 12.023 7.47048 9.17818 7.17547 numMergedOcc 0
12 mol 218 unq 2 iso 0 dist 6.9398 8.27907 11.4148 10.2817 14.7187 7.18041 12.023 12.7963 9.17818 7.17547 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 10.9746 16.3967 5.86443 14.279 21.7047 5.76653 7.22914 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 12.9923 8.8265 7.88539 6.68463 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.24928 8.81534 6.20606 9.85437 11.101 6.55759 14.5073 12.5773 6.44245 7.02475 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.24928 8.81534 6.20606 9.85437 11.101 6.55759 17.1219 16.4866 10.677 7.67322 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 6.24928 8.81534 6.20606 9.85437 11.101 6.55759 14.9366 17.0464 12.1411 7.19008 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 8.59074 9.46582 13.7993 9.23693 14.6111 7.67322 14.5282 20.9629 10.677 6.55759 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 8.59074 9.46582 13.7993 9.23693 14.6111 7.67322 13.1095 18.3578 5.44694 7.02475 numMergedOcc 0
20 mol 238 unq 5 iso 0 dist 8.59074 9.46582 13.7993 9.23693 14.6111 7.67322 12.4083 13.193 9.50847 7.19008 numMergedOcc 0
21 mol 238 unq 6 iso 0 dist 8.59074 9.77231 13.069 15.3161 12.8711 9.68513 13.0803 14.2103 4.83721 5.9216 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 5.59901 5.30224 7.76676 10.5745 4.99891 6.1415 6.77938 numMergedOcc 0
