0 mol 11 unq 0 iso 0 dist 7.05626 6.29106 7.0964 10.0977 7.98326 13.8519 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.05626 6.29106 7.0964 6.5069 7.90478 11.1888 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 8.9161 7.31505 5.56801 10.5461 5.94206 10.909 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.2958 8.23534 9.09087 14.0749 8.95905 13.6895 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.98441 5.61819 9.17687 8.00102 8.66165 12.1299 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.45873 6.97995 9.17687 11.1564 8.66165 12.1299 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.29506 6.58492 4.37353 4.41856 8.74378 8.89417 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.24843 7.63783 4.37353 4.39585 8.74378 8.89417 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 6.58492 8.29506 4.37353 4.41856 8.89417 8.74378 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 6.58492 8.29506 4.37353 5.93923 9.95255 11.3682 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 7.63783 7.24843 4.37353 4.39585 8.89417 8.74378 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 7.63783 7.24843 4.37353 12.2294 9.95255 11.3682 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.93424 6.8891 6.59975 12.0582 6.75376 9.10042 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.8891 6.93424 6.59975 12.0582 9.10042 6.75376 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.8891 6.93424 6.59975 13.5187 9.75059 10.215 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.8891 6.93424 6.59975 10.0354 6.83404 12.514 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.57117 9.9312 4.20321 6.61047 8.26288 10.5991 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.57117 9.9312 4.20321 4.13141 6.60053 9.36796 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 9.9312 7.57117 4.20321 4.13141 9.36796 6.60053 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.23981 5.92441 10.7189 7.68725 7.21349 11.44 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 6.23981 5.92441 10.7189 10.0025 9.62455 13.8553 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.60978 6.62283 6.25098 12.1252 5.92374 10.6756 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 7.36908 5.2801 6.48174 7.49849 4.98734 6.33496 numMergedOcc 0
23 mol 256 unq 1 iso 0 dist 7.36908 5.2801 6.48174 9.92311 6.37963 6.00636 numMergedOcc 0
24 mol 256 unq 2 iso 0 dist 7.36908 5.2801 6.48174 7.27553 8.16803 10.9323 numMergedOcc 0
25 mol 256 unq 3 iso 0 dist 5.2801 7.36908 6.48174 7.49849 6.33496 4.98734 numMergedOcc 0
26 mol 256 unq 4 iso 0 dist 5.2801 7.36908 6.48174 9.92311 6.00636 6.37963 numMergedOcc 0
27 mol 256 unq 5 iso 0 dist 5.2801 7.36908 6.48174 5.91322 7.81448 11.9984 numMergedOcc 0
28 mol 256 unq 6 iso 0 dist 5.2801 7.36908 6.48174 5.49322 8.54499 10.0745 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 9.33975 6.37362 8.52019 13.1036 6.73712 14.2013 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 9.33975 6.37362 8.52019 9.27897 9.35704 13.5008 numMergedOcc 0
31 mol 280 unq 2 iso 0 dist 7.18775 9.9394 8.52019 10.9171 6.73712 14.2013 numMergedOcc 0
32 mol 280 unq 3 iso 0 dist 7.18775 9.9394 8.52019 4.26671 9.35704 13.5008 numMergedOcc 0
