0 mol 30 unq 0 iso 0 dist 7.15015 3.68549 5.5577 8.15347 9.57664 6.61952 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 3.68549 7.15015 5.5577 8.15347 6.61952 9.57664 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.27307 6.92837 8.99811 5.38363 8.67853 10.8149 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 6.92837 8.27307 8.99811 5.38363 10.8149 8.67853 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.30653 6.91739 7.13583 9.87737 5.78087 6.64078 numMergedOcc 0
5 mol 70 unq 0 iso 1 dist 6.91739 8.30653 7.13583 9.87737 6.64078 5.78087 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.30653 6.91739 7.13583 6.7303 6.10128 3.80229 numMergedOcc 0
7 mol 70 unq 1 iso 1 dist 6.91739 8.30653 7.13583 6.7303 3.80229 6.10128 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.29446 5.8992 11.5966 9.9934 15.5077 6.67525 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 5.8992 9.29446 11.5966 9.9934 6.67525 15.5077 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 4.96173 11.3522 10.0591 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 6.70686 9.96446 5.04493 4.96173 10.0591 11.3522 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.90775 8.49531 14.3902 8.6356 7.82258 12.6805 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 8.49531 7.90775 14.3902 8.6356 12.6805 7.82258 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 6.79584 4.69658 13.1881 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 7.42474 8.86938 14.5975 6.79584 13.1881 4.69658 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.43116 6.23645 6.5838 9.82655 12.6623 6.34182 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 6.23645 8.43116 6.5838 9.82655 6.34182 12.6623 numMergedOcc 0
18 mol 172 unq 0 iso 0 dist 7.63635 9.94649 10.4836 9.66616 7.48009 4.52195 numMergedOcc 0
19 mol 172 unq 0 iso 1 dist 9.94649 7.63635 10.4836 9.66616 4.52195 7.48009 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.14464 9.93754 16.5576 8.81424 9.76678 9.72811 numMergedOcc 0
21 mol 225 unq 0 iso 1 dist 9.93754 8.14464 16.5576 8.81424 9.72811 9.76678 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.14464 9.93754 16.5576 9.60949 5.41981 19.3511 numMergedOcc 0
23 mol 225 unq 1 iso 1 dist 9.93754 8.14464 16.5576 9.60949 19.3511 5.41981 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.03917 6.56775 8.31875 7.8548 4.67058 10.28 numMergedOcc 0
25 mol 235 unq 0 iso 1 dist 6.56775 9.03917 8.31875 7.8548 10.28 4.67058 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 7.96613 14.5358 13.7682 numMergedOcc 0
27 mol 266 unq 0 iso 1 dist 9.61741 6.95233 13.0015 7.96613 13.7682 14.5358 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.95233 5.61056 7.49927 7.96613 14.5358 11.879 numMergedOcc 0
29 mol 266 unq 1 iso 1 dist 5.61056 6.95233 7.49927 7.96613 11.879 14.5358 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.61741 5.61056 7.0568 7.96613 13.7682 11.879 numMergedOcc 0
31 mol 266 unq 1 iso 1 dist 5.61056 9.61741 7.0568 7.96613 11.879 13.7682 numMergedOcc 0
