0 mol 39 unq 0 iso 0 dist 7.95922 4.66216 5.00126 5.05915 8.82943 5.20561 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.0802 4.33061 6.86731 4.12203 9.09778 4.98339 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 5.77448 6.54183 11.8083 9.63616 15.3154 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.06502 5.56506 8.53393 9.26191 6.50622 7.12219 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.06502 5.56506 8.53393 6.42604 4.45433 4.85618 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 8.06502 4.81535 5.57265 9.26191 6.50622 5.34874 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 8.06502 4.81535 5.57265 6.42604 4.45433 3.68023 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.09725 4.98967 6.09906 6.02092 7.60619 3.83059 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.87984 14.0158 5.85841 9.40876 8.73798 9.53244 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.87984 6.35984 7.00285 9.40876 8.73798 6.54016 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.0584 14.0158 6.78839 9.40876 5.24616 9.53244 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 9.0584 6.35984 8.02354 9.40876 5.24616 6.54016 numMergedOcc 0
12 mol 172 unq 0 iso 0 dist 9.40213 4.40294 9.54849 6.2666 7.3485 4.44923 numMergedOcc 0
13 mol 172 unq 1 iso 0 dist 9.40213 8.54738 5.5139 6.2666 7.3485 4.52195 numMergedOcc 0
14 mol 172 unq 2 iso 0 dist 8.75042 10.0794 9.54849 11.7152 7.3485 4.44923 numMergedOcc 0
15 mol 172 unq 3 iso 0 dist 8.75042 10.0217 5.5139 11.7152 7.3485 4.52195 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 9.88141 15.0762 9.47932 5.68716 9.20546 10.8008 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 4.66398 7.9304 8.98668 11.3639 9.87415 17.6924 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.05448 16.3246 8.98668 6.51662 9.87415 17.6924 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.23348 5.0425 7.72708 4.76162 5.7671 5.57138 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.03169 4.53426 6.85672 3.9472 9.26331 3.35448 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 8.9413 4.75685 5.3051 3.8221 8.57848 5.94366 numMergedOcc 0
