0 mol 28 unq 0 iso 0 dist 9.3223 11.7565 7.2551 12.3058 11.4558 8.66738 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 5.41774 9.90363 7.78899 14.9479 10.6357 8.10222 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.63973 4.00834 6.97936 6.46582 3.35924 5.91098 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 6.63973 9.6911 5.00466 6.46582 3.35924 4.86523 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.53559 11.236 8.85652 14.109 9.87781 4.4077 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.53559 11.236 8.85652 14.2262 9.93375 8.4874 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 8.09774 5.0466 8.85652 7.84813 9.87781 4.4077 numMergedOcc 0
7 mol 129 unq 3 iso 0 dist 8.09774 5.0466 8.85652 12.1544 9.93375 8.4874 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 7.93715 8.19854 5.08603 5.05414 3.41605 5.5223 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 7.93715 8.19854 5.08603 7.16964 7.59825 8.00501 numMergedOcc 0
10 mol 192 unq 2 iso 0 dist 7.93715 4.65303 5.77035 5.05414 3.41605 5.03588 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 7.85801 5.60329 8.44337 12.2512 9.3899 9.13587 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.69512 7.47443 5.63283 5.66636 8.93955 8.83628 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 9.74779 7.00921 8.3704 13.6374 6.69913 8.58891 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 7.25438 10.6852 7.50697 9.64364 5.31124 7.78392 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.22195 6.31111 4.93584 12.7933 6.59398 9.32456 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 8.89714 15.6015 6.95569 19.1554 11.8515 8.13393 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 5.09181 6.37482 6.24134 5.28731 4.98469 7.08681 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 5.09181 6.37482 6.24134 10.1649 10.5542 4.95596 numMergedOcc 0
19 mol 285 unq 2 iso 0 dist 5.09181 6.37482 6.24134 11.3128 12.5361 6.3508 numMergedOcc 0
20 mol 285 unq 3 iso 0 dist 5.09181 6.37482 6.24134 14.2549 11.9464 8.3005 numMergedOcc 0
