0 mol 13 unq 0 iso 0 dist 9.11704 7.14622 9.50751 6.31087 4.79414 5.47592 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.11704 7.14622 9.50751 6.93633 7.64367 4.71139 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 8.12105 6.80105 10.6215 5.76226 11.2623 4.71139 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.86433 7.72437 7.71161 6.27123 12.1257 6.58001 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 5.66803 8.61926 4.56868 7.06708 9.81429 10.0447 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 6.1083 7.81122 11.0122 4.50951 6.01582 7.65098 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 6.1083 7.81122 11.0122 7.62148 5.74695 12.3282 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.76088 6.61636 12.398 7.7342 4.19526 10.2219 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.76088 6.61636 12.398 9.79873 13.269 6.14787 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 8.3937 8.6132 6.82381 5.10333 5.57078 5.42566 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 5.58167 6.56642 6.47437 6.94036 4.03131 5.45951 numMergedOcc 0
11 mol 187 unq 1 iso 0 dist 5.58167 7.9625 10.7843 6.94036 4.03131 10.199 numMergedOcc 0
12 mol 187 unq 2 iso 0 dist 8.0501 6.56642 7.95559 6.94036 9.89541 5.45951 numMergedOcc 0
13 mol 187 unq 3 iso 0 dist 8.0501 7.9625 9.27977 6.94036 9.89541 10.199 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.90757 7.741 4.83686 8.29885 12.0614 9.80836 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 8.74399 7.45381 12.3027 5.78519 10.618 8.56251 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 5.52821 4.74522 9.14905 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 8.86185 4.57548 4.81796 5.52821 13.9081 9.14905 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 9.70363 7.9907 4.95611 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.8646 9.9145 13.3737 9.70363 7.9907 8.35409 numMergedOcc 0
20 mol 293 unq 0 iso 0 dist 4.72125 5.50284 5.86908 8.36747 5.0535 6.33022 numMergedOcc 0
21 mol 293 unq 1 iso 0 dist 4.72125 8.88355 10.4612 8.36747 5.0535 9.06827 numMergedOcc 0
