0 mol 24 unq 0 iso 0 dist 9.97806 6.77987 3.9893 6.50899 12.2221 8.31631 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.32779 6.77987 5.15319 6.50899 10.872 8.31631 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.33902 6.74914 6.01288 8.20543 14.5221 8.85286 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.84323 8.09973 5.90259 3.66673 6.51901 7.16844 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.24768 8.09973 6.38075 3.66673 9.1926 7.16844 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 8.51622 8.09973 10.3714 3.66673 10.8493 7.16844 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.22609 8.53833 3.79852 11.1855 11.8965 8.78414 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.52742 6.24296 8.175 3.81285 6.56288 4.29937 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.52742 6.24296 8.175 6.17121 5.97559 5.37869 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 7.52742 6.83218 9.3414 3.81285 6.56288 3.65628 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 7.52742 6.83218 9.3414 6.17121 5.97559 4.05415 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.42914 6.64714 8.88262 9.46631 15.8707 7.71625 numMergedOcc 0
12 mol 91 unq 1 iso 0 dist 8.17327 6.64714 11.1951 9.46631 16.9889 7.71625 numMergedOcc 0
13 mol 91 unq 2 iso 0 dist 9.52936 6.64714 10.5022 9.46631 16.7772 7.71625 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 5.27541 9.43355 8.99253 13.6305 13.8059 6.67678 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 5.27541 9.43355 8.99253 14.1431 15.1091 7.24956 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 5.27541 9.43355 8.99253 3.99275 5.96189 8.28591 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 5.27541 9.43355 8.99253 6.46195 10.4659 9.40687 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 5.27541 5.64141 3.78587 3.99275 5.96189 5.35008 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 5.27541 5.64141 3.78587 6.46195 10.4659 8.84576 numMergedOcc 0
20 mol 93 unq 6 iso 0 dist 5.27541 5.46186 10.5386 3.99275 5.96189 8.30921 numMergedOcc 0
21 mol 93 unq 7 iso 0 dist 5.27541 5.46186 10.5386 6.46195 10.4659 7.39732 numMergedOcc 0
22 mol 93 unq 8 iso 0 dist 5.27541 5.46186 10.5386 10.4525 14.606 9.67744 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 6.4081 5.82551 3.94084 5.47525 9.98215 8.72957 numMergedOcc 0
24 mol 116 unq 0 iso 0 dist 8.56629 6.99944 9.33056 9.53399 15.9742 7.54274 numMergedOcc 0
25 mol 116 unq 1 iso 0 dist 7.56091 6.99944 4.01797 9.53399 11.4135 7.54274 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.1717 5.24228 9.9475 6.46148 14.7271 5.95801 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 9.1717 5.24228 9.9475 14.5965 18.2236 9.92715 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 5.52744 9.22792 11.7817 10.2655 14.451 6.94594 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 5.52744 9.22792 11.7817 11.6331 14.9654 5.81881 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 5.52744 5.00402 5.74741 8.73397 7.00382 9.4366 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
