0 mol 5 unq 0 iso 0 dist 7.15734 6.77563 5.32128 5.2522 9.19117 9.17088 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.15734 6.77563 5.32128 5.13643 8.59504 10.8121 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.15734 6.77563 5.32128 10.0436 7.75279 12.2938 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 12.8084 6.27507 11.8176 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 13.2452 7.22054 11.0691 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 13.2452 8.62699 11.0691 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.48435 8.41848 5.35462 5.61104 9.62885 6.5087 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.6582 5.97805 12.6081 11.5137 6.00667 12.7383 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.17734 5.97805 5.26273 11.5137 8.00919 12.7383 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.47945 6.01711 5.53673 6.8538 8.95953 7.73971 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 6.03184 6.73365 7.28617 4.40729 5.25888 8.84385 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 6.03184 9.45659 5.77256 4.40729 5.25888 9.81041 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 6.03184 9.44856 4.96871 4.40729 5.25888 9.91248 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 4.51269 9.19263 5.12592 8.44632 8.75397 13.1862 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 7.65323 9.19263 7.40413 9.10202 8.75124 15.2365 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 12.1185 8.14122 10.5926 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 13.3105 8.14122 10.5926 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 6.68491 8.40945 10.2501 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 8.20682 7.81237 5.39218 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 3.74681 8.65729 10.2007 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 3.74681 9.9137 10.2007 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 5.70986 8.59955 11.7506 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 5.70986 8.59955 9.76154 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 7.6402 9.96011 5.32878 6.93622 9.41513 12.9179 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 9.62798 7.32898 11.5357 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 5.58669 9.32156 10.7773 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 6.12202 9.81087 7.96313 6.75848 9.70022 8.41236 numMergedOcc 0
27 mol 274 unq 3 iso 0 dist 6.44266 9.79674 9.61244 8.2168 7.32898 16.1637 numMergedOcc 0
28 mol 274 unq 4 iso 0 dist 6.44266 8.3291 6.57235 8.2168 7.32898 11.5357 numMergedOcc 0
29 mol 274 unq 5 iso 0 dist 8.75703 9.79674 10.7877 14.0477 9.32156 19.3418 numMergedOcc 0
30 mol 274 unq 6 iso 0 dist 8.75703 8.3291 4.97216 14.0477 9.32156 10.7773 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.57035 5.17586 6.03718 7.77606 7.08788 9.24472 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 9.29964 9.93207 14.3929 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 6.53984 9.93207 14.3929 numMergedOcc 0
