0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 12.9455 7.98005 12.5438 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 16.4682 8.34347 14.2359 8.31381 8.39015 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 14.3476 8.34347 5.34406 7.98005 12.5438 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 14.3476 8.34347 11.3355 8.31381 8.39015 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 4.49773 6.22221 8.88455 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 4.49773 6.22221 9.53385 numMergedOcc 0
6 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 7.15496 6.22221 8.88455 numMergedOcc 0
7 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 7.15496 6.22221 9.53385 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 10.567 9.4278 7.93183 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 10.567 9.4278 10.7675 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 10.567 9.4278 10.5901 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 10.4408 9.93438 6.25685 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 5.09114 6.01457 8.37808 4.92712 4.42563 7.90729 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 10.4591 5.39356 10.2024 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 9.79448 7.78467 8.14887 12.2845 9.92746 5.4328 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 9.79448 6.02237 9.30299 10.4591 5.39356 12.7606 numMergedOcc 0
16 mol 127 unq 3 iso 0 dist 9.79448 6.02237 9.30299 12.2845 9.92746 12.6193 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 10.3456 5.77186 6.85721 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 10.7652 8.99891 9.14188 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 11.326 6.23183 8.20841 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 11.326 6.23183 7.83734 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 8.26166 9.9868 16.456 numMergedOcc 0
22 mol 231 unq 1 iso 0 dist 8.17766 11.3675 7.37839 9.74804 7.3268 6.63423 numMergedOcc 0
23 mol 231 unq 2 iso 0 dist 8.17766 12.5238 8.40182 8.26166 9.9868 17.7601 numMergedOcc 0
24 mol 231 unq 3 iso 0 dist 8.17766 12.5238 8.40182 9.74804 7.3268 10.3815 numMergedOcc 0
25 mol 231 unq 4 iso 0 dist 9.84965 14.0116 7.37839 6.84363 9.9868 16.456 numMergedOcc 0
26 mol 231 unq 5 iso 0 dist 9.84965 14.0116 7.37839 8.52323 7.3268 6.63423 numMergedOcc 0
27 mol 231 unq 6 iso 0 dist 9.84965 16.7305 8.40182 6.84363 9.9868 17.7601 numMergedOcc 0
28 mol 231 unq 7 iso 0 dist 9.84965 16.7305 8.40182 8.52323 7.3268 10.3815 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 7.17049 6.69619 4.02751 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 5.69465 8.46956 8.2734 7.97171 4.49592 5.99797 numMergedOcc 0
