0 mol 15 unq 0 iso 0 dist 6.61158 12.2588 7.12903 15.8295 9.5538 9.70735 8.72187 5.90976 9.97507 9.40358 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 15.8295 9.5538 9.70735 11.4555 5.51916 6.82505 4.90888 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 10.1011 6.58035 13.8231 5.66529 6.84569 12.9591 5.94084 5.46498 5.46269 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.62693 4.09495 9.16962 10.7464 9.20028 7.51406 10.8071 11.887 8.34347 6.4487 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.1332 11.6637 8.97043 12.5192 10.2377 9.33865 11.8721 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.58063 5.24961 7.64585 12.1332 11.6637 8.97043 10.8398 10.8939 6.11741 5.19652 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 11.6509 5.70073 7.0318 18.7881 11.3679 9.84395 8.12649 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 9.58171 10.4485 6.62561 11.6509 5.70073 7.0318 6.90827 4.91401 7.90328 5.21051 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95838 5.85391 9.63176 11.8127 10.06 8.88255 13.3689 10.6679 8.73993 10.5726 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.47892 18.2257 9.63176 18.6518 10.06 8.88255 19.5006 10.6679 8.73993 10.5726 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 13.7766 9.45501 8.99949 6.31125 6.19596 6.85062 11.3502 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 6.80942 7.441 5.68636 11.1867 12.8482 6.43582 7.92939 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.02593 9.80448 7.36102 12.9127 6.79302 5.68636 12.6683 8.27726 6.43582 7.92939 numMergedOcc 0
13 mol 155 unq 2 iso 0 dist 8.77391 4.94973 7.36102 6.80942 6.79302 5.68636 11.1867 8.27726 6.43582 7.92939 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 9.27422 11.3364 5.47561 10.8522 4.8892 8.01589 10.6375 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 9.27422 11.3364 5.47561 10.0664 11.0074 7.7699 5.39098 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 7.35476 4.82768 6.82208 9.27422 11.3364 5.47561 7.85877 12.2813 7.21333 5.60111 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 13.7471 5.58989 6.06422 10.6346 6.20606 6.57393 5.33697 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.94175 14.9782 6.55759 20.5217 13.9044 7.64276 13.9196 10.4664 7.31233 7.45873 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 8.81534 5.33567 5.38637 9.18345 5.58989 6.06422 6.24928 6.20606 6.57393 5.33697 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 8.81534 9.85437 6.55759 13.9474 13.9044 7.64276 11.3074 10.4664 7.31233 7.45873 numMergedOcc 0
21 mol 238 unq 4 iso 0 dist 9.46582 9.23693 7.67322 9.69906 11.6924 7.64276 14.9617 12.6986 7.31233 7.45873 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.53092 12.7699 8.37865 9.80725 5.4536 8.57619 12.9189 5.31048 5.30224 5.43184 numMergedOcc 0
