0 mol 27 unq 0 iso 0 dist 8.67055 9.48375 13.3383 6.72164 7.78697 11.2505 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.67055 6.85127 9.25156 6.72164 7.78697 10.163 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 8.67055 8.58169 10.2835 6.72164 7.78697 14.0173 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.25236 9.48375 12.6088 6.72164 9.40719 11.2505 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 6.25236 6.85127 7.63122 6.72164 9.40719 10.163 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 6.25236 8.58169 5.48316 6.72164 9.40719 14.0173 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 8.99589 8.40835 7.05769 9.19231 8.38803 13.6649 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 6.38662 8.83248 6.95983 10.3387 9.76585 8.84944 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 4.38961 6.78551 6.25432 7.01409 9.62551 10.6398 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.54666 6.5114 7.67596 8.00716 4.77515 10.0021 numMergedOcc 0
10 mol 136 unq 0 iso 0 dist 6.27434 9.67457 4.65485 6.29723 7.65792 8.41727 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 9.36038 9.89864 14.0551 16.2631 9.24754 20.1425 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.8024 6.6514 11.1988 6.63124 9.63473 12.8904 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 7.91956 8.51497 5.60329 6.55113 6.66555 10.9052 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 6.54042 7.6174 9.96567 5.92917 9.03261 8.74399 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 6.54042 7.6174 9.96567 10.3185 7.67573 15.7645 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 8.69185 7.5099 8.42399 9.93927 9.44671 14.7605 numMergedOcc 0
17 mol 233 unq 1 iso 0 dist 8.69185 7.5099 8.42399 11.206 7.21531 13.9895 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 8.21225 9.73318 7.15398 4.11548 9.88044 8.51703 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 8.21225 5.75551 6.13352 4.11548 9.88044 5.07895 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 9.50891 7.73676 13.4774 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 5.33054 6.89455 7.83784 7.04495 5.90728 12.7559 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 5.33054 8.821 5.37953 7.04495 5.90728 9.10215 numMergedOcc 0
23 mol 283 unq 2 iso 0 dist 5.33054 9.82337 12.5084 7.04495 5.90728 15.2003 numMergedOcc 0
24 mol 283 unq 3 iso 0 dist 8.56376 8.07626 7.83784 9.44903 5.90728 12.7559 numMergedOcc 0
25 mol 283 unq 4 iso 0 dist 8.56376 6.3448 12.5084 9.44903 5.90728 15.2003 numMergedOcc 0
