0 mol 56 unq 0 iso 0 dist 5.62688 5.02731 9.2898 9.25719 8.77529 9.67727 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.96039 5.49132 6.72869 9.90706 9.59729 5.31985 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 8.96039 6.71804 9.85905 9.90706 9.59729 15.4159 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 8.8326 15.957 8.13108 7.15288 9.59729 13.5024 numMergedOcc 0
4 mol 76 unq 3 iso 0 dist 9.78762 10.2292 8.23026 4.43742 9.08825 6.46372 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.77418 6.95852 5.56994 8.58795 7.31064 6.09562 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.58844 7.21973 6.93139 13.9252 7.5573 7.21225 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 5.37122 7.48208 4.88025 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.49352 10.5666 5.35237 10.0187 5.78982 5.4761 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 7.49352 14.3463 7.99477 10.0187 5.78982 5.03507 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 9.03126 9.74132 7.06025 6.0136 7.86352 10.8974 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.07247 7.25468 5.96423 9.35176 4.61596 4.08775 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.12029 6.94867 8.90571 8.94768 8.5672 5.75483 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 7.12029 5.77884 6.61112 8.94768 8.5672 10.8286 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 9.85404 16.7848 9.31526 18.8265 9.91727 12.1607 numMergedOcc 0
15 mol 207 unq 0 iso 0 dist 8.01415 5.62653 5.12567 6.68112 4.76113 4.56899 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.91906 5.68711 7.46481 15.4894 9.43017 16.8346 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 13.4195 8.14294 8.34852 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 7.4921 6.03081 9.72447 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 6.50932 14.2513 8.19317 4.7126 7.41433 12.983 numMergedOcc 0
20 mol 235 unq 2 iso 0 dist 6.50932 8.38435 5.1823 7.4921 6.03081 4.21867 numMergedOcc 0
21 mol 235 unq 3 iso 0 dist 6.50932 8.38435 5.1823 4.7126 7.41433 5.88852 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.05095 6.46871 5.90924 8.52745 9.78237 5.71153 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 7.05095 6.46871 5.90924 5.39798 9.70101 5.70542 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 7.05095 6.46871 5.90924 4.96942 9.95798 6.87635 numMergedOcc 0
25 mol 264 unq 3 iso 0 dist 7.05095 9.80039 5.90058 8.52745 9.78237 12.6872 numMergedOcc 0
26 mol 264 unq 4 iso 0 dist 7.05095 9.80039 5.90058 5.39798 9.70101 9.63145 numMergedOcc 0
27 mol 264 unq 5 iso 0 dist 7.05095 9.80039 5.90058 4.96942 9.95798 12.9337 numMergedOcc 0
28 mol 264 unq 6 iso 0 dist 7.05095 6.62911 9.58916 8.52745 9.78237 6.56539 numMergedOcc 0
29 mol 264 unq 7 iso 0 dist 7.05095 6.62911 9.58916 5.39798 9.70101 10.1301 numMergedOcc 0
30 mol 264 unq 8 iso 0 dist 7.05095 6.62911 9.58916 4.96942 9.95798 4.76241 numMergedOcc 0
31 mol 284 unq 0 iso 0 dist 9.02411 6.5173 9.19921 14.0647 9.69019 11.7046 numMergedOcc 0
32 mol 284 unq 1 iso 0 dist 9.02411 6.535 6.41303 14.0647 9.69019 7.70187 numMergedOcc 0
