0 mol 11 unq 0 iso 0 dist 6.89666 6.74026 6.54358 9.76946 3.77561 6.50001 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 6.29702 4.79873 13.0464 5.59268 8.27137 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 16.9501 13.1649 7.32064 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.10981 9.89481 8.65848 13.5159 9.31889 4.62314 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 9.84346 7.17843 7.32064 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.23023 13.8703 6.85523 9.46472 4.4651 4.62314 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.23023 11.9719 5.77326 9.84346 7.17843 5.85007 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.23023 11.9719 5.77326 9.46472 4.4651 6.35234 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 9.08307 3.71228 7.07095 5.96486 5.65355 5.73799 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 17.4427 13.7888 9.44737 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 17.9213 13.7888 9.44737 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.53905 3.78964 5.56994 7.84249 4.34071 4.77996 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.89481 7.09333 8.80934 9.64281 14.0364 6.12348 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.89481 7.09333 8.80934 13.9688 12.1308 7.2672 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.35868 4.57067 6.04595 10.8042 5.28901 6.31773 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.02717 12.6105 9.42082 16.5786 11.8122 8.42219 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.42513 8.71432 6.08673 9.16999 4.70935 8.75894 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.28278 9.05571 5.51197 14.5797 6.43966 6.53559 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.28278 9.05571 5.51197 9.0455 5.56946 8.09774 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 9.28278 14.5546 8.86944 14.5797 6.43966 7.90844 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 6.34417 4.37138 5.80789 8.49892 5.30274 7.02063 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 6.23399 5.18463 8.33439 7.10223 5.5065 5.06116 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.03995 11.8169 7.2793 16.6123 11.7795 6.52441 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 14.7463 7.56497 6.0033 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 7.82899 14.9352 8.83833 13.8026 6.45947 8.70029 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.06771 9.0675 9.46361 14.1987 12.1767 7.72489 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.54857 5.49348 5.85442 7.34794 5.41945 4.95855 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 9.54857 5.13138 6.95511 7.34794 5.41945 7.72489 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 6.42725 6.09466 6.9899 5.30455 5.59901 4.95855 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.65265 18.3627 9.30212 12.9003 4.37547 7.15079 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 9.65265 11.4981 6.4611 13.3657 4.56913 4.97796 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.20416 8.88312 7.20674 12.7106 8.04474 5.72473 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 7.53641 10.0594 7.20674 8.35169 8.04474 5.72473 numMergedOcc 0
