0 mol 26 unq 0 iso 0 dist 9.7522 9.44507 10.9837 14.2845 16.0085 8.98417 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.44909 9.45566 4.55437 11.5696 14.0851 9.98746 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.99491 6.23138 6.21578 7.89444 5.54343 9.23947 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.86252 5.51406 9.13283 6.16048 10.7413 6.93893 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.4545 7.11438 9.52327 11.011 12.3285 5.74593 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.01176 7.11438 11.641 11.011 15.1078 5.74593 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 6.99582 12.6783 7.48563 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 11.1994 12.1755 8.12854 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.82535 9.34823 6.09547 10.5389 12.0237 6.67326 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.18763 9.34823 5.13589 10.5389 9.85387 6.67326 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.44385 9.34823 10.8661 10.5389 11.4157 6.67326 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 5.63005 9.34823 12.0175 10.5389 13.2459 6.67326 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.04864 8.73484 8.2619 9.39537 10.3269 8.64019 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.97921 8.63323 6.07158 10.4244 13.9777 8.11292 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 9.97921 8.63323 6.07158 5.55488 10.282 8.54006 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 9.78438 8.15381 11.7977 9.50121 16.9558 8.2232 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 9.78438 8.15381 11.7977 8.94472 16.4606 6.07229 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.70279 7.83422 12.3508 9.592 15.4361 9.25162 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 9.592 14.8591 9.25162 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.15815 9.69704 5.78064 13.127 8.53729 9.29788 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 7.15815 9.69704 5.78064 14.7487 8.07341 9.50983 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 9.83721 8.4302 5.754 4.65989 12.12 8.64133 numMergedOcc 0
