0 mol 33 unq 0 iso 0 dist 7.15141 9.06004 8.39877 6.53932 10.0784 7.89306 5.65377 6.08005 3.82411 5.31968 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 7.15141 9.34266 5.85188 6.53932 10.0784 8.36697 5.65377 6.08005 4.28598 5.31968 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.61163 7.77212 5.8646 6.31644 12.8059 9.52717 6.22911 4.43656 5.86778 9.26043 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 7.28711 8.47126 9.80027 14.1047 12.2123 8.91998 9.23907 5.27581 9.46631 8.01351 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 8.72463 7.99127 6.75249 4.42628 12.703 9.99012 11.2126 15.5922 9.29034 9.01762 numMergedOcc 0
5 mol 167 unq 0 iso 0 dist 4.93984 7.33483 6.13061 4.72853 8.58946 8.43955 7.62006 7.01116 3.85621 7.04009 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 8.3035 6.03628 4.15355 10.8341 9.4835 9.46274 13.258 6.61663 9.66099 7.74406 numMergedOcc 0
7 mol 249 unq 0 iso 0 dist 6.93507 6.32658 5.57138 8.73111 11.6265 6.62413 7.10933 6.45919 3.89698 9.19506 numMergedOcc 0
8 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 8.73111 14.5656 6.62413 7.10933 8.71871 3.89698 9.19506 numMergedOcc 0
9 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 11.7587 7.54805 6.18698 5.90175 4.75685 3.8221 8.43749 numMergedOcc 0
10 mol 287 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 12.3952 15.3352 8.64531 7.64715 numMergedOcc 0
11 mol 287 unq 1 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 16.6534 20.2104 14.5036 8.50508 numMergedOcc 0
12 mol 287 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 12.3952 15.3352 5.37977 7.64715 numMergedOcc 0
13 mol 287 unq 3 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 16.6534 20.2104 10.4837 8.50508 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 12.3952 15.3352 8.64531 7.64715 numMergedOcc 0
15 mol 288 unq 1 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 16.6534 20.2104 14.5036 8.50508 numMergedOcc 0
16 mol 288 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 12.3952 15.3352 5.37977 7.64715 numMergedOcc 0
17 mol 288 unq 3 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 16.6534 20.2104 10.4837 8.50508 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 12.3952 15.3352 8.64531 7.64715 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 7.28096 6.17759 7.83168 9.16384 13.6466 9.77996 16.6534 20.2104 14.5036 8.50508 numMergedOcc 0
20 mol 289 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 12.3952 15.3352 5.37977 7.64715 numMergedOcc 0
21 mol 289 unq 3 iso 0 dist 7.28096 8.20391 10.0322 9.16384 13.6466 6.61308 16.6534 20.2104 10.4837 8.50508 numMergedOcc 0
