0 mol 8 unq 0 iso 0 dist 9.11545 8.79897 6.04779 12.1654 8.89145 14.3637 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.11545 8.79897 6.04779 13.8674 6.92865 11.1789 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.49449 9.49156 12.494 5.53748 6.25914 13.9737 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 8.49449 9.49156 12.494 10.307 6.03755 17.0664 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.08674 9.47924 16.2978 9.08836 4.83274 16.4532 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.33694 9.47924 10.5899 9.08836 7.89214 16.4532 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 5.41154 8.74837 7.03352 6.61257 7.77558 12.6188 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.1232 8.6969 7.33104 12.0258 8.20865 13.036 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.1232 9.18318 6.89658 12.0258 8.20865 10.465 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.76168 7.94124 7.33104 5.58126 8.20865 13.036 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.76168 5.92298 6.89658 5.58126 8.20865 10.465 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 9.26301 5.09285 7.22809 15.8173 9.24515 11.8382 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.2929 8.98702 9.50302 6.06993 8.93552 11.7088 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.2929 8.98702 9.50302 5.29965 8.35604 6.55511 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 6.17589 8.98702 6.0336 6.06993 6.20658 11.7088 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 6.17589 8.98702 6.0336 5.29965 7.83568 6.55511 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 8.97036 6.13054 11.9058 13.8837 6.495 15.5704 numMergedOcc 0
17 mol 132 unq 1 iso 0 dist 8.97036 6.13054 11.9058 14.8844 9.43748 16.7836 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.70916 8.51581 8.86818 5.56707 7.15203 9.79004 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 4.85278 8.82137 11.9303 9.63894 8.70197 18.4541 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.86673 9.08415 9.36078 4.33134 8.03597 12.2039 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.73513 5.70397 5.07259 10.4602 6.57849 10.8041 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.73513 4.67361 6.25023 10.4602 6.57849 11.5674 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 8.53152 8.79252 12.9416 6.05846 9.1384 14.443 numMergedOcc 0
24 mol 212 unq 1 iso 0 dist 8.53152 8.79252 12.9416 5.19318 7.87125 13.6854 numMergedOcc 0
25 mol 212 unq 2 iso 0 dist 8.53152 8.09995 15.9269 6.05846 9.1384 12.3918 numMergedOcc 0
26 mol 212 unq 3 iso 0 dist 8.53152 8.09995 15.9269 5.19318 7.87125 10.8077 numMergedOcc 0
