0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 6.08168 10.9641 7.61183 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.3768 9.85386 11.1804 7.87577 12.9306 7.9575 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.3768 9.85386 11.1804 10.5032 14.8573 5.88827 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.13535 9.85386 14.019 7.87577 14.892 7.9575 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.13535 9.85386 14.019 10.5032 17.1621 5.88827 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 10.1574 12.6483 6.64921 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 4.74629 11.1537 8.67342 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 7.39588 10.2791 5.73739 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 4.74629 11.1537 8.60062 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 7.39588 10.2791 5.16225 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 8.83135 9.43839 5.22259 17.9238 11.1537 8.67342 numMergedOcc 0
11 mol 85 unq 5 iso 0 dist 8.83135 9.43839 5.22259 13.3413 10.2791 5.73739 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 7.01545 5.6516 5.46401 7.93366 12.2721 8.73208 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 7.01545 5.6516 5.46401 6.09578 8.20319 5.60174 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 10.4516 12.1369 8.24402 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 7.13064 7.44027 4.76749 4.32128 10.8116 9.44156 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.8962 8.55758 4.34681 10.4516 8.69945 8.24402 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 7.8962 7.44027 5.73248 4.32128 11.35 9.44156 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.49831 9.07315 11.2086 9.01449 14.4264 8.52131 numMergedOcc 0
19 mol 165 unq 0 iso 0 dist 5.79029 9.98689 11.7621 5.54803 9.41943 9.54118 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.89981 5.19729 8.82573 7.94 11.5856 5.4687 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 9.85821 8.99104 14.7528 10.3685 17.8902 4.37138 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 14.4681 18.4688 9.83135 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 7.00841 5.83039 4.4384 8.12952 13.4413 9.672 numMergedOcc 0
24 mol 254 unq 2 iso 0 dist 7.00841 6.74364 6.09569 8.12952 13.4413 9.15233 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 6.69637 9.34312 6.39822 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 6.77259 7.36137 4.60397 11.9449 12.6809 8.61077 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 6.77259 4.95415 5.26919 6.69637 9.34312 5.36518 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 6.77259 4.95415 5.26919 11.9449 12.6809 9.11585 numMergedOcc 0
