0 mol 15 unq 0 iso 0 dist 9.60736 7.57076 10.6969 6.05868 8.83891 10.5078 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 10.4653 9.4148 14.7266 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.62508 5.98169 11.4558 5.51879 6.87842 8.94643 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.77719 6.76158 16.4255 12.3614 9.4148 16.9644 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 9.77719 6.76158 16.4255 9.5295 6.87842 15.1706 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 9.77719 7.423 16.0765 12.3614 9.4148 14.7676 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 9.77719 7.423 16.0765 9.5295 6.87842 14.1709 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 9.77719 5.89257 13.6412 12.3614 9.4148 13.0428 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 9.77719 5.89257 13.6412 9.5295 6.87842 12.7139 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 8.14006 5.23167 5.87787 4.29159 6.27293 7.01397 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 9.50607 8.11352 7.43333 4.67118 9.45909 8.61788 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.65328 8.47439 10.919 7.36888 8.18217 5.52214 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 5.87263 6.18165 3.18152 12.2667 7.06772 6.27378 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 7.58767 9.40433 7.95437 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 5.97855 8.69052 6.35772 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.61768 6.9943 3.68488 8.13583 8.9221 10.3444 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 6.61768 6.9943 3.68488 4.80695 9.51145 9.90506 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.61768 7.36685 3.14784 8.13583 8.9221 6.39822 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 6.61768 7.36685 3.14784 4.80695 9.51145 8.61077 numMergedOcc 0
19 mol 266 unq 4 iso 0 dist 6.61768 9.03099 5.95721 8.13583 8.9221 5.36518 numMergedOcc 0
20 mol 266 unq 5 iso 0 dist 6.61768 9.03099 5.95721 4.80695 9.51145 9.11585 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 4.00063 6.42951 9.07744 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.87826 8.43856 12.5673 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 7.37164 7.96707 7.98095 6.18486 5.83857 11.7457 numMergedOcc 0
24 mol 287 unq 2 iso 0 dist 7.37164 7.96707 7.98095 9.62966 5.32839 8.21192 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.87826 8.43856 12.5673 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.37164 7.96707 7.98095 6.18486 5.83857 11.7457 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 7.37164 7.96707 7.98095 9.62966 5.32839 8.21192 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.87826 8.43856 12.5673 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 7.37164 7.96707 7.98095 6.18486 5.83857 11.7457 numMergedOcc 0
30 mol 289 unq 2 iso 0 dist 7.37164 7.96707 7.98095 9.62966 5.32839 8.21192 numMergedOcc 0
