0 mol 52 unq 0 iso 0 dist 5.77748 4.98024 5.26018 14.4551 12.8491 9.80098 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 5.77748 4.98024 5.26018 9.02308 10.3287 7.34143 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.62062 9.99897 7.1203 13.5109 5.92851 9.80098 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 7.62062 9.99897 7.1203 9.6112 6.03647 7.34143 numMergedOcc 0
4 mol 52 unq 4 iso 0 dist 7.33436 6.01116 7.1203 12.5042 5.92851 9.80098 numMergedOcc 0
5 mol 52 unq 5 iso 0 dist 7.33436 6.01116 7.1203 6.08894 6.03647 7.34143 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.36132 10.5573 9.70415 10.9015 5.46309 6.65721 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 7.36132 10.5573 9.70415 15.5265 11.9897 6.72123 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.97144 10.0936 6.7212 13.592 11.6369 9.96708 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 5.97144 10.0936 6.7212 7.09258 6.12361 9.78528 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.64939 9.86989 6.56728 17.3437 11.609 7.47541 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.64939 9.86989 6.56728 16.4418 13.5384 7.66905 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.64939 9.86989 6.56728 13.6022 5.29763 5.73196 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 5.72842 9.54828 8.96916 9.16549 5.92158 6.45675 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 5.72842 6.20162 5.70279 10.3136 5.85449 6.65086 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 5.72842 6.20162 5.70279 7.02792 7.68675 6.56369 numMergedOcc 0
17 mol 100 unq 4 iso 0 dist 5.72842 6.20162 5.70279 12.1758 9.53223 9.30209 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 7.58293 6.03768 9.84673 5.79411 5.09542 7.36792 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.60424 4.83846 9.08014 9.34456 7.41343 5.86073 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 8.98702 5.29965 6.55511 6.3982 5.47689 5.11551 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 8.98702 5.29965 6.55511 11.6013 6.00348 7.11972 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.06422 12.3674 8.88255 16.604 10.5726 8.73993 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.51581 5.56707 9.79004 11.2668 10.0277 7.24514 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.51581 5.56707 9.79004 10.9887 7.33132 8.22656 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 8.51581 6.63321 8.43069 10.9887 7.33132 6.82262 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.34778 4.82239 5.16813 12.7161 5.87924 9.70748 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.34778 4.82239 5.16813 10.4931 8.61343 7.54065 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 8.34778 4.82239 5.16813 12.7343 11.0854 8.87694 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 6.03801 5.48717 5.16813 11.9058 5.87924 9.70748 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 6.03801 5.48717 5.16813 5.47189 8.61343 7.54065 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 6.03801 5.48717 5.16813 10.1325 11.0854 8.87694 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 7.68999 10.705 8.8557 9.68636 5.65373 8.22528 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 7.68999 5.6419 5.00457 9.68636 5.65373 7.03423 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 7.68999 5.6419 5.00457 7.81415 6.23084 9.06952 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.8444 4.3284 6.06422 9.94587 5.33697 6.57393 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 9.73405 5.27652 4.87108 10.3089 7.45873 6.22714 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 9.73405 6.88036 7.64276 10.3089 7.45873 7.31233 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 9.4691 5.34337 7.26981 5.27188 9.23512 7.32223 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 9.4691 5.34337 7.26981 10.4338 10.8952 8.31064 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 6.62992 6.07245 6.8902 12.0073 12.3593 9.17653 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 14.2977 7.33684 9.97651 numMergedOcc 0
42 mol 272 unq 1 iso 0 dist 8.1095 6.52684 7.31993 13.5287 10.4451 8.46116 numMergedOcc 0
43 mol 276 unq 0 iso 0 dist 5.16952 5.58984 8.79189 6.97104 6.33662 6.87396 numMergedOcc 0
44 mol 276 unq 1 iso 0 dist 5.04414 6.58819 8.79189 8.63281 6.33662 6.87396 numMergedOcc 0
