0 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.302 9.85726 11.0773 6.96396 10.2729 7.10621 15.4949 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 6.06561 8.67719 5.46498 5.32694 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 8.02077 13.4596 8.71745 10.4155 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 5.66097 5.84479 7.63133 5.32694 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 8.02077 13.4596 8.71745 5.74188 numMergedOcc 0
5 mol 66 unq 0 iso 0 dist 6.85819 8.31793 5.57361 6.43842 9.37957 12.4286 5.95767 10.7538 8.96624 9.61194 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 6.58444 11.905 5.93252 16.5689 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.27355 4.24428 9.76331 10.8067 9.68526 8.9232 6.58444 14.8258 5.93252 11.8291 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 6.58444 14.8258 5.93252 16.5689 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.27355 4.24428 9.76331 17.4113 9.30776 16.0453 6.58444 14.8258 5.93252 21.7714 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.27355 6.30194 5.44275 10.8067 9.68526 10.2049 10.5627 7.26679 6.19304 15.7123 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.27355 6.30194 5.44275 17.4113 9.30776 11.6369 10.5627 7.26679 6.19304 12.016 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 8.60363 4.24428 10.4402 10.8067 9.72442 8.9232 6.58444 14.0323 5.93252 11.8291 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 8.60363 4.24428 10.4402 16.3515 9.02288 18.5645 6.58444 14.0323 5.93252 22.547 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 8.60363 6.30194 8.0624 10.8067 9.72442 10.2049 10.5627 10.1503 6.19304 15.7123 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 8.60363 6.30194 8.0624 16.3515 9.02288 14.305 10.5627 10.1503 6.19304 12.0013 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 9.96864 6.78459 18.696 6.89762 11.5472 6.45675 13.8729 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.65733 7.25166 12.6649 5.24877 8.42445 7.5732 11.6284 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 5.3967 6.7225 11.2489 6.07331 11.6732 4.99221 10.4152 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 7.67341 8.35604 5.39296 5.3967 6.7225 5.11551 11.9798 10.2695 7.11972 6.5838 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 12.753 14.9263 9.92231 7.42466 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 6.03184 6.73365 7.28617 5.52686 9.57611 12.0591 5.73338 5.08206 5.6234 9.24932 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 6.03184 6.73365 7.28617 5.52686 9.57611 12.0591 12.753 11.7895 9.92231 15.5208 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 12.753 11.7895 9.92231 7.42466 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 6.03184 9.45659 5.77256 5.52686 9.57611 14.3157 5.73338 5.08206 6.57069 9.24932 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 12.5935 11.5992 7.63312 11.5866 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 10.6943 9.8711 9.23153 15.396 12.6756 8.24498 10.5449 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 11.7724 14.4547 9.40098 9.54151 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 11.7724 13.1222 9.40098 9.54151 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 11.4653 9.33771 8.95269 5.0744 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 10.2117 6.14348 8.40182 4.06055 numMergedOcc 0
31 mol 231 unq 1 iso 0 dist 7.28719 9.98232 5.3251 10.2117 6.14348 8.40182 10.9863 7.79865 7.37839 4.06055 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 5.27568 12.9448 8.35971 7.43758 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 12.7595 9.58006 7.88519 4.69778 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 10.908 6.77279 8.13497 4.69778 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 15.3912 9.72927 18.8774 12.5953 15.5946 8.4218 15.8423 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 11.3921 9.86142 13.0736 6.11218 7.80446 9.10818 5.34251 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 6.44266 8.3291 6.57235 6.99898 9.86142 13.0736 6.98398 7.80446 9.10818 5.34251 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 12.0417 11.1402 6.53701 5.51836 numMergedOcc 0
