0 mol 10 unq 0 iso 0 dist 7.01757 13.2522 8.44792 4.94859 4.94198 8.45469 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 7.01757 4.94859 4.94198 13.2522 8.44792 8.45469 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 7.01757 13.2522 8.44792 3.61968 9.62353 16.6607 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 7.01757 3.61968 9.62353 13.2522 8.44792 16.6607 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 7.01757 4.94859 4.94198 3.61968 9.62353 8.52733 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 7.01757 3.61968 9.62353 4.94859 4.94198 8.52733 numMergedOcc 0
6 mol 10 unq 2 iso 0 dist 8.17855 4.94859 8.28764 3.61968 9.41355 8.52733 numMergedOcc 0
7 mol 10 unq 2 iso 1 dist 8.17855 3.61968 9.41355 4.94859 8.28764 8.52733 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.40754 14.1179 8.48827 11.8378 7.14048 3.24688 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 6.40754 11.8378 7.14048 14.1179 8.48827 3.24688 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 6.47746 14.1179 8.03895 11.8378 5.68873 3.24688 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 6.47746 11.8378 5.68873 14.1179 8.03895 3.24688 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 7.04867 15.272 8.48827 13.728 7.14048 3.24688 numMergedOcc 0
13 mol 78 unq 2 iso 1 dist 7.04867 13.728 7.14048 15.272 8.48827 3.24688 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 6.50374 13.8467 8.48827 13.1454 7.14048 3.24688 numMergedOcc 0
15 mol 78 unq 3 iso 1 dist 6.50374 13.1454 7.14048 13.8467 8.48827 3.24688 numMergedOcc 0
16 mol 78 unq 4 iso 0 dist 8.92691 13.8467 8.03895 13.1454 5.68873 3.24688 numMergedOcc 0
17 mol 78 unq 4 iso 1 dist 8.92691 13.1454 5.68873 13.8467 8.03895 3.24688 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 6.37368 4.54508 7.33353 3.21862 8.55622 3.20461 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 6.37368 3.21862 8.55622 4.54508 7.33353 3.20461 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 5.60304 4.8693 8.76449 6.10287 8.36182 3.6066 numMergedOcc 0
21 mol 147 unq 0 iso 1 dist 5.60304 6.10287 8.36182 4.8693 8.76449 3.6066 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 6.54331 9.08641 7.50458 10.9154 5.79554 5.23644 numMergedOcc 0
23 mol 169 unq 0 iso 1 dist 6.54331 10.9154 5.79554 9.08641 7.50458 5.23644 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 6.54331 9.08641 7.50458 10.1806 4.22003 7.52063 numMergedOcc 0
25 mol 169 unq 1 iso 1 dist 6.54331 10.1806 4.22003 9.08641 7.50458 7.52063 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 6.54331 10.9154 5.79554 10.1806 4.22003 3.74306 numMergedOcc 0
27 mol 169 unq 1 iso 1 dist 6.54331 10.1806 4.22003 10.9154 5.79554 3.74306 numMergedOcc 0
28 mol 176 unq 0 iso 0 dist 9.81785 7.56198 8.51811 9.94884 7.26558 3.17744 numMergedOcc 0
29 mol 176 unq 0 iso 1 dist 9.81785 9.94884 7.26558 7.56198 8.51811 3.17744 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 6.98119 12.6123 8.00949 3.62248 8.19257 13.0962 numMergedOcc 0
31 mol 232 unq 0 iso 1 dist 6.98119 3.62248 8.19257 12.6123 8.00949 13.0962 numMergedOcc 0
32 mol 232 unq 1 iso 0 dist 6.38361 4.74485 9.38205 7.19741 8.32831 10.7706 numMergedOcc 0
33 mol 232 unq 1 iso 1 dist 6.38361 7.19741 8.32831 4.74485 9.38205 10.7706 numMergedOcc 0
34 mol 232 unq 2 iso 0 dist 7.02122 6.83389 9.33969 4.33631 7.64079 9.65274 numMergedOcc 0
35 mol 232 unq 2 iso 1 dist 7.02122 4.33631 7.64079 6.83389 9.33969 9.65274 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.98536 8.01781 7.35776 5.87452 9.59195 4.68872 numMergedOcc 0
37 mol 287 unq 0 iso 1 dist 8.98536 5.87452 9.59195 8.01781 7.35776 4.68872 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.98536 8.01781 7.35776 5.87452 9.59195 4.68872 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 8.98536 5.87452 9.59195 8.01781 7.35776 4.68872 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 8.98536 8.01781 7.35776 5.87452 9.59195 4.68872 numMergedOcc 0
41 mol 289 unq 0 iso 1 dist 8.98536 5.87452 9.59195 8.01781 7.35776 4.68872 numMergedOcc 0
