0 mol 26 unq 0 iso 0 dist 9.56639 7.35595 5.84066 15.3546 8.25132 9.16962 19.2 13.6027 11.887 8.34347 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 6.68311 4.03844 6.77912 8.1124 12.4827 12.0644 8.8178 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.26417 13.1473 6.53824 6.68311 4.03844 6.77912 15.0607 12.111 7.11552 9.96708 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 8.16985 5.00053 9.14817 6.7212 7.47371 7.321 11.6369 7.12321 9.0131 9.96708 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 8.16985 5.00053 9.14817 6.7212 7.47371 7.321 6.12361 6.21799 6.11922 9.78528 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 7.81344 5.00053 9.76686 6.7212 9.67587 7.321 11.6369 9.35457 9.0131 9.96708 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 7.81344 5.00053 9.76686 6.7212 9.67587 7.321 6.12361 5.03251 6.11922 9.78528 numMergedOcc 0
7 mol 72 unq 6 iso 0 dist 7.49245 9.57455 9.76686 13.3713 9.67587 7.321 13.6461 9.35457 9.0131 9.96708 numMergedOcc 0
8 mol 72 unq 7 iso 0 dist 7.49245 9.57455 9.76686 13.3713 9.67587 7.321 5.43672 5.03251 6.11922 9.78528 numMergedOcc 0
9 mol 72 unq 8 iso 0 dist 5.49421 5.00053 9.437 6.7212 7.07356 7.321 11.6369 12.1131 9.0131 9.96708 numMergedOcc 0
10 mol 72 unq 9 iso 0 dist 5.49421 5.00053 9.437 6.7212 7.07356 7.321 6.12361 7.66093 6.11922 9.78528 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 7.22752 5.38332 8.38791 8.84523 6.35679 5.87358 14.7654 14.6042 9.46098 8.69985 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 8.88255 6.9194 9.63176 10.5726 12.31 10.6679 8.73993 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 16.6272 12.4621 7.44174 10.6442 11.2897 7.36192 9.87172 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 8.14405 7.441 7.29911 5.68636 4.91785 9.38946 7.92939 8.97626 12.8482 6.43582 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 8.14405 6.79302 5.36254 5.68636 4.91785 7.36102 7.92939 8.97626 8.27726 6.43582 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.91906 5.24956 8.70987 11.5105 11.1534 7.46831 5.68711 7.46481 6.67959 8.85478 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 5.88041 5.56344 5.73591 10.6043 5.13732 8.19953 14.0352 11.2501 8.64911 9.40098 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 5.88041 5.56344 5.73591 10.6043 5.13732 8.19953 13.1803 8.08349 10.7113 6.61986 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.40158 12.3374 9.38131 15.5179 13.378 5.38637 18.3841 14.7404 6.20606 6.57393 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.40158 12.3374 9.38131 11.6421 10.4966 6.55759 15.2667 9.7696 10.4664 7.31233 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.40158 5.92575 6.85253 11.6421 10.4966 7.02475 15.2667 9.7696 11.2717 7.31233 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 5.41453 11.6924 7.39547 7.64276 5.71717 7.67322 7.45873 10.1172 12.6986 7.31233 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 5.41453 5.61491 7.24334 4.87108 6.82305 7.49471 7.45873 10.1172 5.17471 6.22714 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 5.41453 5.61491 7.24334 7.64276 5.71717 7.19008 7.45873 10.1172 5.17471 7.31233 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 16.4628 14.2242 11.6195 7.88519 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 16.3772 16.7322 11.8736 7.84554 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 11.2159 11.7465 5.79468 7.46176 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 15.855 19.0182 12.6649 9.18903 numMergedOcc 0
29 mol 259 unq 4 iso 0 dist 9.2885 5.4536 8.84648 8.57619 4.04513 8.37865 5.43184 8.03219 5.31048 5.30224 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 11.8058 5.41667 7.67853 12.809 11.4951 6.64985 8.48753 numMergedOcc 0
