0 mol 11 unq 0 iso 0 dist 8.73067 7.5901 7.98326 5.43238 8.17605 9.09091 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 9.09091 8.17605 7.98326 5.43238 7.5901 8.73067 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.02548 5.90856 9.95212 10.7418 11.4087 5.82366 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 5.82366 11.4087 9.95212 10.7418 5.90856 7.02548 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.63599 7.82761 4.93468 14.0061 4.52595 7.87237 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 7.87237 4.52595 4.93468 14.0061 7.82761 9.63599 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 7.87237 4.52595 4.93468 9.86441 4.58851 8.01743 numMergedOcc 0
7 mol 79 unq 1 iso 1 dist 8.01743 4.58851 4.93468 9.86441 4.52595 7.87237 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.41399 6.61001 6.84835 11.831 10.6436 6.87262 numMergedOcc 0
9 mol 133 unq 0 iso 1 dist 6.87262 10.6436 6.84835 11.831 6.61001 7.41399 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.71555 6.61001 8.42748 11.831 9.01682 6.87262 numMergedOcc 0
11 mol 133 unq 1 iso 1 dist 6.87262 9.01682 8.42748 11.831 6.61001 6.71555 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.30946 8.79853 8.21184 12.2304 11.9671 6.05323 numMergedOcc 0
13 mol 156 unq 0 iso 1 dist 6.05323 11.9671 8.21184 12.2304 8.79853 7.30946 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.06217 8.15174 8.86197 11.7007 7.23063 6.32777 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 6.32777 7.23063 8.86197 11.7007 8.15174 9.06217 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.13252 11.047 8.86197 12.8673 7.23063 6.32777 numMergedOcc 0
17 mol 181 unq 1 iso 1 dist 6.32777 7.23063 8.86197 12.8673 11.047 7.13252 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.52969 4.26755 6.38324 10.055 5.63279 9.3402 numMergedOcc 0
19 mol 194 unq 0 iso 1 dist 9.3402 5.63279 6.38324 10.055 4.26755 8.52969 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.17337 5.12599 9.78181 10.3168 10.9886 7.10413 numMergedOcc 0
21 mol 232 unq 0 iso 1 dist 7.10413 10.9886 9.78181 10.3168 5.12599 7.17337 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.62002 4.38002 5.92374 6.00721 9.71156 7.04753 numMergedOcc 0
23 mol 238 unq 0 iso 1 dist 7.04753 9.71156 5.92374 6.00721 4.38002 6.62002 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.69818 14.6816 5.92374 14.5243 9.71156 7.04753 numMergedOcc 0
25 mol 238 unq 1 iso 1 dist 7.04753 9.71156 5.92374 14.5243 14.6816 9.69818 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 6.73446 11.5793 5.92374 11.5207 9.71156 7.04753 numMergedOcc 0
27 mol 238 unq 2 iso 1 dist 7.04753 9.71156 5.92374 11.5207 11.5793 6.73446 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 5.97993 7.73342 9.70149 8.86638 6.40578 6.28538 numMergedOcc 0
29 mol 250 unq 0 iso 1 dist 6.28538 6.40578 9.70149 8.86638 7.73342 5.97993 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 6.44252 5.66455 9.70149 5.94383 6.40578 6.28538 numMergedOcc 0
31 mol 250 unq 1 iso 1 dist 6.28538 6.40578 9.70149 5.94383 5.66455 6.44252 numMergedOcc 0
