0 mol 21 unq 0 iso 0 dist 7.48808 6.51419 5.68808 6.91363 8.85347 5.0018 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 9.78508 6.68779 14.9004 11.3342 8.35933 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.07389 8.42544 16.282 15.7133 9.36759 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 10.5808 12.9917 5.0553 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 8.07389 6.09486 16.282 10.9455 9.36759 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 8.07389 6.09486 10.5808 10.2065 5.0553 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 6.78532 8.07389 4.40385 16.282 13.4358 9.36759 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 6.78532 8.07389 4.40385 10.5808 9.08164 5.0553 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.27307 9.40686 11.8246 12.7999 15.6513 9.24557 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 6.92837 9.40686 3.85648 12.7999 11.7935 9.24557 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 12.1012 14.5836 8.96872 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 8.43135 11.2841 9.01984 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 10.3386 12.7546 8.9675 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 7.34207 5.7306 9.20471 10.3386 9.04554 8.9675 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.66837 8.71292 10.2936 6.31999 14.0717 9.07685 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.9895 7.71402 7.45933 10.1351 14.4966 7.78684 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 6.53913 7.71402 6.38496 10.1351 7.83781 7.78684 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.25882 6.254 6.16939 6.2884 9.3629 8.54088 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 7.18271 7.0119 5.99766 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 6.22964 9.1579 9.20417 7.18271 11.0369 5.99766 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 14.4695 17.2877 7.01147 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.80409 9.00616 15.4874 16.6016 22.5502 8.69549 numMergedOcc 0
22 mol 261 unq 2 iso 0 dist 9.80409 6.35699 13.3429 14.4695 17.2877 9.53489 numMergedOcc 0
