0 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 6.4301 6.07553 5.86882 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 14.7095 6.48457 9.9259 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.90845 9.89489 8.38394 6.4301 6.07553 3.96228 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 14.7095 6.48457 12.2071 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 9.14774 8.58658 14.436 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 9.14774 8.58658 14.3129 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.59893 12.4254 8.10861 9.14774 8.58658 7.98156 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 10.7832 8.58658 14.436 numMergedOcc 0
8 mol 54 unq 4 iso 0 dist 5.59773 10.4238 6.83299 10.7832 8.58658 14.3129 numMergedOcc 0
9 mol 54 unq 5 iso 0 dist 5.59773 10.1356 8.10861 10.7832 8.58658 7.98156 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 9.17879 8.43667 6.62208 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 5.57013 8.75049 5.58281 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.71202 5.70205 7.66148 4.94176 8.6851 4.09911 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 11.1811 6.62757 13.4456 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 16.482 9.36354 14.5359 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 5.80442 4.96654 13.231 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.31105 9.52692 8.24498 5.80442 4.96654 7.35133 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 9.19415 7.80754 4.32714 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.75313 6.46679 6.61986 14.1448 8.20295 8.95149 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 6.08709 7.85135 6.61986 5.32839 7.80754 4.32714 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 6.08709 7.85135 6.61986 3.8619 8.20295 8.95149 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.64299 7.69739 7.09863 3.73175 6.40086 6.16261 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 7.79865 5.3251 7.37839 10.7916 7.31553 6.58152 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 8.27718 9.18589 10.3659 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 8.27718 9.18589 10.4355 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 8.24007 6.38733 12.9824 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 9.73021 16.5881 8.33025 11.3001 9.64349 15.2956 numMergedOcc 0
27 mol 252 unq 2 iso 0 dist 9.73021 12.5855 9.2288 8.24007 6.38733 9.78504 numMergedOcc 0
28 mol 252 unq 3 iso 0 dist 9.73021 12.5855 9.2288 11.3001 9.64349 11.8272 numMergedOcc 0
29 mol 252 unq 4 iso 0 dist 9.73021 5.26867 7.19638 8.24007 6.38733 3.6688 numMergedOcc 0
30 mol 252 unq 5 iso 0 dist 9.73021 5.26867 7.19638 11.3001 9.64349 6.57801 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 5.81927 9.49027 6.97229 9.26924 5.8473 6.87078 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 5.81927 9.49027 6.97229 10.3067 6.78929 4.5427 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 10.5788 8.48407 14.5632 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.84383 8.98154 8.93097 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 9.696 5.1874 8.49997 5.84383 8.98154 6.55065 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 3.87167 6.64082 10.9417 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.13489 5.51096 9.70696 9.59133 7.83245 6.36192 numMergedOcc 0
