0 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 9.81268 6.57633 10.2266 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 9.3718 9.44478 9.81268 6.57633 13.9207 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.99735 6.77802 9.165 5.41436 7.34325 11.2538 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.99735 6.77802 9.165 6.53592 6.42037 11.8252 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.7516 9.48328 13.4515 9.58119 7.34325 17.3341 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.7516 9.48328 13.4515 12.1293 6.42037 18.737 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.30202 7.49792 7.90686 3.83635 6.27293 9.7316 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.93939 6.16745 4.40015 16.7919 9.79061 11.6307 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.00684 6.29267 4.15002 5.22146 8.4416 7.92114 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.00684 6.29267 4.15002 9.79892 7.79538 8.18375 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 6.00684 9.64361 8.46282 5.22146 8.4416 14.4479 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 6.00684 9.64361 8.46282 9.79892 7.79538 16.0903 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 9.25941 7.22615 11.9221 6.67182 9.90938 13.1268 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 6.97303 8.97914 5.07066 6.17631 8.9078 7.91458 numMergedOcc 0
14 mol 157 unq 1 iso 0 dist 9.46764 8.97914 7.444 6.17631 6.07906 7.91458 numMergedOcc 0
15 mol 157 unq 2 iso 0 dist 9.46764 8.97914 7.444 3.80096 8.72717 10.9863 numMergedOcc 0
16 mol 255 unq 0 iso 0 dist 5.53395 8.66655 10.1167 4.04928 5.88708 11.4091 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.65743 5.28746 4.39553 11.5675 9.51145 8.20376 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 8.19366 9.34464 4.93084 10.9386 8.90116 11.0243 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 8.57375 7.17276 7.97597 8.21071 5.32876 11.5443 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 8.57375 7.17276 7.97597 6.36596 7.60296 11.6249 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.60353 5.32839 6.22311 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.60353 5.32839 10.9964 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.60353 5.32839 6.22311 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.60353 5.32839 10.9964 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.60353 5.32839 6.22311 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.60353 5.32839 10.9964 numMergedOcc 0
