0 mol 7 unq 0 iso 0 dist 9.67498 6.89544 7.22054 15.0231 9.85726 14.9736 15.2305 11.5784 17.5263 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 13.2452 7.22054 17.302 9.85726 14.9736 16.6563 11.5784 17.5263 9.60499 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 13.2452 8.62699 6.96396 7.21217 14.3668 6.22805 6.09254 11.0691 7.10621 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.96689 8.17831 6.00667 11.9436 9.48243 6.55423 15.7632 11.6637 13.8341 9.91388 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 9.6582 11.5137 6.00667 16.3678 9.48243 6.55423 19.1009 11.6637 13.8341 9.91388 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 6.4737 10.8322 6.21275 7.20811 9.74498 12.692 13.03 10.7816 13.0805 8.67331 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 6.4737 10.8322 6.21275 7.20811 9.74498 12.692 9.36082 7.26476 11.9198 8.05741 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 6.03184 4.40729 5.25888 5.73338 5.08206 4.51101 12.3723 12.1783 13.3338 9.0018 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 6.03184 4.40729 5.25888 5.73338 5.08206 4.51101 6.73365 7.28617 8.84385 5.6234 numMergedOcc 0
9 mol 175 unq 2 iso 0 dist 6.03184 4.40729 5.25888 5.73338 5.08206 4.51101 9.45659 5.77256 9.81041 6.57069 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 8.94671 9.4786 8.63031 4.85077 7.86625 8.27268 12.503 5.40949 10.8493 9.31746 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.24111 12.1185 8.14122 13.3929 9.67457 9.53948 8.07523 5.82028 10.5926 6.18308 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.00343 13.3105 8.14122 12.3088 9.67457 9.53948 7.56882 5.82028 10.5926 6.18308 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 6.41444 7.35484 8.14122 13.3774 9.67457 9.53948 10.5902 5.82028 10.5926 6.18308 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.86207 6.68491 8.40945 10.6943 9.8711 6.29733 8.9077 4.90657 10.2501 9.23153 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.86207 8.20682 7.81237 10.6943 9.8711 13.3213 8.9077 4.90657 5.39218 9.23153 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 7.47122 12.0975 8.65729 15.4433 9.75313 6.57808 13.3678 6.46679 10.2007 6.61986 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 5.97988 11.8916 9.9137 6.70321 6.08709 6.57808 11.2702 7.85135 10.2007 6.61986 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 6.6537 3.74681 8.65729 4.55824 9.75313 6.57808 7.04127 6.46679 10.2007 6.61986 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 9.08719 3.74681 9.9137 4.55824 6.08709 6.57808 7.04127 7.85135 10.2007 6.61986 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 9.3807 10.0609 8.73584 12.5843 8.91685 12.0171 12.4678 5.25611 13.313 7.57994 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 9.3807 10.0609 8.73584 12.5843 8.91685 12.0171 15.0782 9.66184 16.2652 6.18582 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.45077 6.15417 6.66413 8.63445 7.93997 6.82055 14.4933 14.8465 12.2264 7.46176 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 4.55368 6.49658 6.66413 6.18571 7.93997 6.82055 13.6279 14.8465 12.2264 7.46176 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.07452 9.62798 7.32898 6.11218 7.80446 4.54436 6.21831 6.57235 11.5357 9.10818 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 7.21004 5.58669 9.32156 6.11218 9.91395 9.53794 6.21831 4.97216 10.7773 9.10818 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 6.44266 8.2168 7.32898 6.98398 7.80446 4.54436 8.3291 6.57235 11.5357 9.10818 numMergedOcc 0
27 mol 274 unq 3 iso 0 dist 8.75703 14.0477 9.32156 6.98398 9.91395 9.53794 8.3291 4.97216 10.7773 9.10818 numMergedOcc 0
