0 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.06561 5.46498 5.32694 7.88676 6.53177 5.84479 8.67719 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 8.02077 8.71745 10.4155 7.88676 6.53177 5.84479 13.4596 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.46752 6.06561 5.46498 5.66097 7.63133 5.32694 7.88676 6.53177 8.67719 5.84479 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.46752 6.06561 5.46498 8.02077 8.71745 5.74188 7.88676 6.53177 8.67719 13.4596 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 17.6549 9.96073 5.83937 14.8574 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 18.4839 13.6099 8.82095 17.2674 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 17.6549 9.96073 5.83937 11.1212 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 18.4839 13.6099 8.82095 10.5768 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 12.802 8.31041 9.68526 7.26679 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 16.8277 11.7069 9.72442 10.1503 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 12.802 8.31041 9.68526 9.30776 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 16.8277 11.7069 9.72442 13.2514 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 15.5908 10.4716 6.89722 11.7436 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 12.802 8.31041 7.26679 9.68526 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 15.5908 10.4716 6.89722 14.4206 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 12.802 8.31041 7.26679 9.30776 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 5.79954 9.65653 9.75218 12.8388 9.96396 12.016 12.802 8.31041 9.30776 7.26679 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 5.79954 9.65653 9.75218 14.1415 9.38498 13.7412 12.802 8.31041 9.30776 9.68526 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 10.4858 8.31041 9.68526 7.26679 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 13.3367 11.7069 9.72442 10.1503 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 10.4858 8.31041 9.68526 9.30776 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 13.3367 11.7069 9.72442 13.2514 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 14.6774 10.4716 6.89722 11.7436 numMergedOcc 0
23 mol 73 unq 15 iso 0 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 10.4858 8.31041 7.26679 9.68526 numMergedOcc 0
24 mol 73 unq 16 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 14.6774 10.4716 6.89722 14.4206 numMergedOcc 0
25 mol 73 unq 17 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 10.4858 8.31041 7.26679 9.30776 numMergedOcc 0
26 mol 73 unq 18 iso 0 dist 7.01889 8.11922 9.75218 15.0744 9.96396 12.016 10.4858 8.31041 9.30776 7.26679 numMergedOcc 0
27 mol 73 unq 19 iso 0 dist 7.01889 8.11922 9.75218 7.9573 9.38498 13.7412 10.4858 8.31041 9.30776 9.68526 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 8.35604 5.3967 5.11551 11.9798 7.11972 6.5838 7.67341 5.39296 6.7225 10.2695 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 7.83568 7.10772 5.11551 11.3906 7.11972 6.5838 11.1256 5.39296 6.7225 10.2695 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 5.38237 7.24514 6.65743 19.033 15.4455 9.4473 15.6584 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 6.21546 5.50014 8.69888 14.9263 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 6.03184 7.28617 5.08206 11.7895 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 7.86207 4.90657 9.8711 12.6756 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 6.6537 6.46679 9.75313 14.4547 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 9.08719 7.85135 6.08709 13.1222 numMergedOcc 0
36 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 10.2117 8.40182 4.06055 7.28719 5.3251 7.79865 6.14348 numMergedOcc 0
37 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 10.9863 7.37839 4.06055 7.28719 5.3251 6.14348 7.79865 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 9.97357 16.5918 8.35971 8.3919 8.03456 14.2337 20.0044 10.054 8.77254 16.0921 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 9.97357 16.5918 8.35971 4.88785 6.84306 14.7998 20.0044 10.054 8.77254 16.2964 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 9.97357 16.5918 8.35971 10.2557 9.99038 10.7497 20.0044 10.054 8.77254 17.6586 numMergedOcc 0
41 mol 236 unq 3 iso 0 dist 9.97357 16.5918 8.35971 14.6755 9.78037 12.0369 20.0044 10.054 8.77254 13.4564 numMergedOcc 0
42 mol 236 unq 4 iso 0 dist 6.73134 5.52669 8.04248 5.27568 8.35971 7.43758 9.13126 6.0258 9.10613 12.9448 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 12.7595 7.88519 4.69778 6.76656 5.71237 6.77279 9.58006 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 6.76656 5.71237 9.58006 6.77279 numMergedOcc 0
45 mol 280 unq 0 iso 0 dist 8.27417 7.26698 6.0664 12.0417 6.53701 5.51836 7.3304 4.95798 8.85762 11.1402 numMergedOcc 0
