0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 5.5249 8.80331 7.39848 10.4413 6.20293 11.4251 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.06275 9.72346 9.86609 10.4413 6.20293 11.4251 5.5249 8.80331 7.39848 8.13395 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 10.5786 8.8178 11.4964 16.2349 9.96708 14.6356 10.7394 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 9.43143 9.85325 4.7874 16.2349 9.96708 14.6356 10.5786 8.8178 11.4964 10.7394 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.3558 7.06722 9.85978 15.1474 7.4729 16.8453 8.66262 6.82344 13.2183 8.95922 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.3558 7.06722 9.85978 8.66262 6.82344 13.2183 15.1474 7.4729 16.8453 8.95922 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.23645 9.82655 6.34182 4.96719 7.11972 12.8676 6.47836 6.90986 5.93278 10.498 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 6.23645 9.82655 6.34182 6.47836 6.90986 5.93278 4.96719 7.11972 12.8676 10.498 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 7.75534 8.75408 12.0528 5.61914 6.44653 7.53694 5.23036 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 5.06555 8.0889 5.61274 5.61914 6.44653 7.53694 7.75534 8.75408 12.0528 5.23036 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 4.93681 6.4119 4.05822 12.8283 9.2313 8.04118 10.1677 7.73169 8.39035 5.50998 numMergedOcc 0
11 mol 142 unq 0 iso 1 dist 4.93681 6.4119 4.05822 10.1677 7.73169 8.39035 12.8283 9.2313 8.04118 5.50998 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 4.93681 6.4119 4.05822 12.8283 9.2313 8.04118 10.0866 8.96657 11.6454 11.1395 numMergedOcc 0
13 mol 142 unq 1 iso 1 dist 4.93681 6.4119 4.05822 10.0866 8.96657 11.6454 12.8283 9.2313 8.04118 11.1395 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 4.93681 6.4119 4.05822 10.1677 7.73169 8.39035 10.0866 8.96657 11.6454 5.92693 numMergedOcc 0
15 mol 142 unq 1 iso 1 dist 4.93681 6.4119 4.05822 10.0866 8.96657 11.6454 10.1677 7.73169 8.39035 5.92693 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 9.35174 9.61492 13.8425 11.3225 7.45763 12.5568 11.8283 numMergedOcc 0
17 mol 205 unq 0 iso 1 dist 6.11505 4.72209 7.35363 11.3225 7.45763 12.5568 9.35174 9.61492 13.8425 11.8283 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 6.68357 7.37839 13.3733 7.6832 8.40182 11.7319 4.06055 numMergedOcc 0
19 mol 231 unq 0 iso 1 dist 6.02527 9.59251 8.58535 7.6832 8.40182 11.7319 6.68357 7.37839 13.3733 4.06055 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 7.40475 5.76741 6.19721 7.63032 7.69895 7.79063 6.42334 7.21521 9.64778 5.55137 numMergedOcc 0
21 mol 248 unq 0 iso 1 dist 7.40475 5.76741 6.19721 6.42334 7.21521 9.64778 7.63032 7.69895 7.79063 5.55137 numMergedOcc 0
22 mol 248 unq 1 iso 0 dist 7.40475 5.76741 6.19721 7.63032 7.69895 7.79063 6.86606 8.2965 11.1716 10.8081 numMergedOcc 0
23 mol 248 unq 1 iso 1 dist 7.40475 5.76741 6.19721 6.86606 8.2965 11.1716 7.63032 7.69895 7.79063 10.8081 numMergedOcc 0
24 mol 248 unq 1 iso 0 dist 7.40475 5.76741 6.19721 6.42334 7.21521 9.64778 6.86606 8.2965 11.1716 5.86196 numMergedOcc 0
25 mol 248 unq 1 iso 1 dist 7.40475 5.76741 6.19721 6.86606 8.2965 11.1716 6.42334 7.21521 9.64778 5.86196 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.80409 8.55479 11.4108 4.63237 9.14619 12.3855 6.39263 8.45658 8.24356 7.00201 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 9.80409 8.55479 11.4108 6.39263 8.45658 8.24356 4.63237 9.14619 12.3855 7.00201 numMergedOcc 0
