0 mol 11 unq 0 iso 0 dist 5.43238 8.73067 8.17605 7.5901 9.09091 7.98326 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.43238 9.09091 7.5901 8.17605 8.73067 7.98326 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.13782 5.55096 6.39184 9.85038 7.21995 11.6429 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 8.13782 7.21995 9.85038 6.39184 5.55096 11.6429 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.13782 5.55096 6.39184 13.1805 9.62637 13.5633 numMergedOcc 0
5 mol 45 unq 1 iso 1 dist 8.13782 9.62637 13.1805 6.39184 5.55096 13.5633 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 9.76285 8.58829 4.40229 13.0328 7.281 11.427 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 9.76285 7.281 13.0328 4.40229 8.58829 11.427 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.86739 9.83981 9.47219 6.76585 8.809 14.1286 numMergedOcc 0
9 mol 114 unq 0 iso 1 dist 9.86739 8.809 6.76585 9.47219 9.83981 14.1286 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.49413 6.51395 9.47219 13.9603 8.809 14.1286 numMergedOcc 0
11 mol 114 unq 1 iso 1 dist 9.49413 8.809 13.9603 9.47219 6.51395 14.1286 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 8.39249 9.83981 14.0577 6.76585 5.79343 14.1286 numMergedOcc 0
13 mol 114 unq 2 iso 1 dist 8.39249 5.79343 6.76585 14.0577 9.83981 14.1286 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.40036 7.70313 5.67953 9.65908 7.52142 11.6366 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 6.40036 7.52142 9.65908 5.67953 7.70313 11.6366 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.4218 6.93279 12.2578 7.99114 6.21403 10.5367 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 6.4218 6.21403 7.99114 12.2578 6.93279 10.5367 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.2135 5.52683 5.39904 8.7258 5.26989 10.3566 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 6.2135 5.26989 8.7258 5.39904 5.52683 10.3566 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.2135 5.52683 5.39904 6.67552 7.76442 9.93907 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 6.2135 7.76442 6.67552 5.39904 5.52683 9.93907 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.20656 5.95304 4.43678 14.048 9.06217 12.1629 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 8.20656 9.06217 14.048 4.43678 5.95304 12.1629 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.40622 5.95304 6.03415 14.048 7.13252 12.1629 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.40622 7.13252 14.048 6.03415 5.95304 12.1629 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 5.89018 9.55606 8.92711 7.34293 7.10526 15.0341 numMergedOcc 0
27 mol 204 unq 0 iso 1 dist 5.89018 7.10526 7.34293 8.92711 9.55606 15.0341 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.27958 7.95766 4.29892 10.1944 6.54825 10.7602 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 7.27958 6.54825 10.1944 4.29892 7.95766 10.7602 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.00721 8.90076 13.3255 4.38002 7.04753 10.6756 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 6.00721 7.04753 4.38002 13.3255 8.90076 10.6756 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.00721 6.62002 9.71156 4.38002 7.04753 5.92374 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 6.00721 7.04753 4.38002 9.71156 6.62002 5.92374 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 8.86638 5.97993 6.40578 7.73342 6.28538 9.70149 numMergedOcc 0
35 mol 250 unq 0 iso 1 dist 8.86638 6.28538 7.73342 6.40578 5.97993 9.70149 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 5.94383 6.44252 6.40578 5.66455 6.28538 9.70149 numMergedOcc 0
37 mol 250 unq 1 iso 1 dist 5.94383 6.28538 5.66455 6.40578 6.44252 9.70149 numMergedOcc 0
