0 mol 64 unq 0 iso 0 dist 9.99634 10.8964 6.6003 11.6323 9.54144 5.78769 13.7301 10.6748 12.2258 8.68586 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 9.1329 6.69874 8.50159 11.1364 7.51358 9.76372 9.03114 7.40574 12.4093 8.32298 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 5.26938 3.66319 8.50159 7.62644 7.51358 9.76372 8.91602 7.40574 12.4093 8.32298 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 6.8014 7.58056 8.50159 5.5768 7.51358 9.76372 11.835 7.40574 12.4093 8.32298 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.30103 7.30364 7.84888 9.81259 7.06013 5.02124 10.2803 5.02055 9.514 5.81965 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.30103 7.30364 7.84888 9.81259 7.06013 5.02124 14.2941 12.4494 13.0248 9.70512 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 5.44596 8.91817 9.93572 6.92517 7.27371 5.36419 9.41832 6.43459 11.7961 6.95323 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 9.18691 4.81215 5.46922 9.53126 7.7056 6.50232 13.6622 5.72828 9.61081 7.31468 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 8.90592 7.13388 5.46922 4.85796 7.7056 6.50232 10.0841 5.72828 9.61081 7.31468 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 6.53758 5.2941 7.02715 6.40439 8.87452 5.84938 13.7468 12.1545 9.70079 9.17284 numMergedOcc 0
10 mol 155 unq 1 iso 0 dist 6.53758 5.2941 7.02715 6.40439 8.87452 5.84938 10.2332 4.66274 9.83554 9.87281 numMergedOcc 0
11 mol 155 unq 2 iso 0 dist 6.53758 5.2941 7.02715 6.76022 7.68368 9.52867 10.2332 4.66274 9.83554 8.27111 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 6.6776 11.3267 8.69888 10.2578 9.8589 14.6255 11.1815 7.42466 14.9263 7.24908 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 6.6776 4.44885 5.08206 10.2578 9.8589 11.5085 11.1815 7.42466 11.7895 7.24908 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 4.79841 6.4556 6.56437 7.32238 6.67585 10.4999 9.04374 4.70378 9.2491 6.65984 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 4.79841 5.66462 6.23882 7.32238 6.67585 12.0368 9.04374 4.70378 10.6031 6.65984 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 4.79841 7.70922 9.53131 7.32238 6.67585 4.63666 9.04374 4.70378 10.7064 6.65984 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 4.79841 9.46589 9.34636 7.32238 6.67585 5.03449 9.04374 4.70378 9.79616 6.65984 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 4.78812 8.20642 6.94346 6.99865 6.73206 5.40622 6.62923 5.40809 11.7245 9.09992 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 6.62923 6.07797 9.1118 6.99865 9.09992 11.5698 4.78812 5.40809 10.342 6.73206 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 5.30976 4.48428 9.05218 10.4141 8.76347 11.6861 10.7112 8.88126 10.8173 9.38971 numMergedOcc 0
21 mol 276 unq 1 iso 0 dist 5.30976 4.48428 9.05218 10.4141 8.76347 11.6861 10.6561 5.50479 13.7797 8.71541 numMergedOcc 0
