0 mol 52 unq 0 iso 0 dist 5.77748 4.98024 5.26018 14.4551 12.8491 9.80098 9.02308 10.3287 7.34143 9.162 numMergedOcc 0
1 mol 52 unq 0 iso 1 dist 5.77748 4.98024 5.26018 9.02308 10.3287 7.34143 14.4551 12.8491 9.80098 9.162 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.62062 9.99897 7.1203 13.5109 5.92851 9.80098 9.6112 6.03647 7.34143 9.162 numMergedOcc 0
3 mol 52 unq 1 iso 1 dist 7.62062 9.99897 7.1203 9.6112 6.03647 7.34143 13.5109 5.92851 9.80098 9.162 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 7.33436 6.01116 7.1203 12.5042 5.92851 9.80098 6.08894 6.03647 7.34143 9.162 numMergedOcc 0
5 mol 52 unq 2 iso 1 dist 7.33436 6.01116 7.1203 6.08894 6.03647 7.34143 12.5042 5.92851 9.80098 9.162 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.36132 10.5573 9.70415 10.9015 5.46309 6.65721 15.5265 11.9897 6.72123 6.86346 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 7.36132 10.5573 9.70415 15.5265 11.9897 6.72123 10.9015 5.46309 6.65721 6.86346 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.97144 10.0936 6.7212 13.592 11.6369 9.96708 7.09258 6.12361 9.78528 8.24309 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 5.97144 10.0936 6.7212 7.09258 6.12361 9.78528 13.592 11.6369 9.96708 8.24309 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.64939 9.86989 6.56728 17.3437 11.609 7.47541 16.4418 13.5384 7.66905 5.42586 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 9.64939 9.86989 6.56728 16.4418 13.5384 7.66905 17.3437 11.609 7.47541 5.42586 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.64939 9.86989 6.56728 17.3437 11.609 7.47541 13.6022 5.29763 5.73196 6.87425 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 9.64939 9.86989 6.56728 13.6022 5.29763 5.73196 17.3437 11.609 7.47541 6.87425 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.64939 9.86989 6.56728 16.4418 13.5384 7.66905 13.6022 5.29763 5.73196 10.1164 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.64939 9.86989 6.56728 13.6022 5.29763 5.73196 16.4418 13.5384 7.66905 10.1164 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 10.3136 5.85449 6.65086 8.8807 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 5.72842 6.20162 5.70279 10.3136 5.85449 6.65086 9.16549 5.92158 7.47343 8.8807 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 7.02792 7.68675 6.56369 12.6515 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 5.72842 6.20162 5.70279 7.02792 7.68675 6.56369 9.16549 5.92158 7.47343 12.6515 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 12.1758 9.53223 9.30209 13.887 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 5.72842 6.20162 5.70279 12.1758 9.53223 9.30209 9.16549 5.92158 7.47343 13.887 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 5.72842 6.20162 5.70279 10.3136 5.85449 6.65086 7.02792 7.68675 6.56369 7.80879 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 5.72842 6.20162 5.70279 7.02792 7.68675 6.56369 10.3136 5.85449 6.65086 7.80879 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 5.72842 6.20162 5.70279 10.3136 5.85449 6.65086 12.1758 9.53223 9.30209 5.38414 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 5.72842 6.20162 5.70279 12.1758 9.53223 9.30209 10.3136 5.85449 6.65086 5.38414 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 5.72842 6.20162 5.70279 7.02792 7.68675 6.56369 12.1758 9.53223 9.30209 6.39938 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 5.72842 6.20162 5.70279 12.1758 9.53223 9.30209 7.02792 7.68675 6.56369 6.39938 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 8.98702 5.29965 6.55511 6.3982 5.47689 5.11551 11.6013 6.00348 7.11972 6.5838 numMergedOcc 0
29 mol 115 unq 0 iso 1 dist 8.98702 5.29965 6.55511 11.6013 6.00348 7.11972 6.3982 5.47689 5.11551 6.5838 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 8.51581 5.56707 9.79004 11.2668 10.0277 7.24514 10.9887 7.33132 8.22656 6.65743 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 8.51581 5.56707 9.79004 10.9887 7.33132 8.22656 11.2668 10.0277 7.24514 6.65743 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.34778 4.82239 5.16813 12.7161 5.87924 9.70748 10.4931 8.61343 7.54065 13.8792 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 8.34778 4.82239 5.16813 10.4931 8.61343 7.54065 12.7161 5.87924 9.70748 13.8792 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 8.34778 4.82239 5.16813 12.7161 5.87924 9.70748 12.7343 11.0854 8.87694 14.9058 numMergedOcc 0
35 mol 186 unq 1 iso 1 dist 8.34778 4.82239 5.16813 12.7343 11.0854 8.87694 12.7161 5.87924 9.70748 14.9058 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 8.34778 4.82239 5.16813 10.4931 8.61343 7.54065 12.7343 11.0854 8.87694 5.74635 numMergedOcc 0
37 mol 186 unq 1 iso 1 dist 8.34778 4.82239 5.16813 12.7343 11.0854 8.87694 10.4931 8.61343 7.54065 5.74635 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 6.03801 5.48717 5.16813 11.9058 5.87924 9.70748 5.47189 8.61343 7.54065 13.8792 numMergedOcc 0
39 mol 186 unq 2 iso 1 dist 6.03801 5.48717 5.16813 5.47189 8.61343 7.54065 11.9058 5.87924 9.70748 13.8792 numMergedOcc 0
40 mol 186 unq 3 iso 0 dist 6.03801 5.48717 5.16813 11.9058 5.87924 9.70748 10.1325 11.0854 8.87694 14.9058 numMergedOcc 0
41 mol 186 unq 3 iso 1 dist 6.03801 5.48717 5.16813 10.1325 11.0854 8.87694 11.9058 5.87924 9.70748 14.9058 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 6.03801 5.48717 5.16813 5.47189 8.61343 7.54065 10.1325 11.0854 8.87694 5.74635 numMergedOcc 0
43 mol 186 unq 3 iso 1 dist 6.03801 5.48717 5.16813 10.1325 11.0854 8.87694 5.47189 8.61343 7.54065 5.74635 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 7.68999 5.6419 5.00457 9.68636 5.65373 7.03423 7.81415 6.23084 9.06952 6.84129 numMergedOcc 0
45 mol 229 unq 0 iso 1 dist 7.68999 5.6419 5.00457 7.81415 6.23084 9.06952 9.68636 5.65373 7.03423 6.84129 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 9.4691 5.34337 7.26981 5.27188 9.23512 7.32223 10.4338 10.8952 8.31064 7.25988 numMergedOcc 0
47 mol 253 unq 0 iso 1 dist 9.4691 5.34337 7.26981 10.4338 10.8952 8.31064 5.27188 9.23512 7.32223 7.25988 numMergedOcc 0
48 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 14.2977 7.33684 9.97651 13.5287 10.4451 8.46116 8.12676 numMergedOcc 0
49 mol 272 unq 0 iso 1 dist 8.1095 6.52684 7.31993 13.5287 10.4451 8.46116 14.2977 7.33684 9.97651 8.12676 numMergedOcc 0
