0 mol 16 unq 0 iso 0 dist 9.05346 5.48395 5.47769 9.56648 5.1298 5.84479 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.05346 10.1011 6.58035 9.56648 5.1298 8.67719 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.07582 10.6118 7.87814 18.0416 12.5495 8.0614 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 9.93688 5.02124 9.514 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.57958 4.32564 7.06013 9.93688 5.02124 7.84888 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.90328 5.89399 4.76815 6.97361 5.07584 7.88564 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 7.90328 5.89399 4.76815 8.52125 7.59628 6.78459 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 14.3765 7.19662 8.64783 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 18.0633 12.4058 7.70533 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 14.524 10.4276 8.97145 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 10.9705 4.96935 6.5874 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 13.7716 6.50232 9.61081 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 13.7716 6.50232 5.46922 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 5.46716 6.50232 9.61081 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 5.46716 6.50232 5.46922 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 9.16944 9.88413 8.87452 6.53806 5.84938 7.02715 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 6.289 7.72655 5.48258 12.7803 7.54928 7.32478 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 6.289 7.72655 5.48258 14.8028 8.68698 9.48439 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 14.7427 10.1284 8.64255 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 6.74777 5.29309 8.99696 10.2079 10.1284 8.64255 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 9.62514 4.57437 8.99696 7.56537 10.1284 8.64255 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.77951 4.53819 5.86443 10.7871 6.07589 9.18675 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.82471 10.9746 5.86443 6.14732 6.07589 9.18675 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.88122 11.9794 6.91569 12.7735 5.1967 9.75174 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.94175 13.8985 5.38637 15.6333 6.03021 6.83152 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.94175 14.9782 6.55759 15.6333 6.03021 5.24313 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 8.81534 5.33567 5.38637 12.1043 6.03021 6.83152 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 8.81534 9.85437 6.55759 12.1043 6.03021 5.24313 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 9.46582 9.23693 7.67322 9.46728 6.23871 5.24313 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 9.77231 9.18011 9.29858 14.2562 18.4149 9.31417 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 9.77231 9.18011 9.29858 13.2039 14.7671 5.56719 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.5086 15.1483 9.58006 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.62431 4.56913 6.50589 8.26851 4.05661 6.00877 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 8.62431 4.56913 6.50589 8.14634 7.47324 8.66451 numMergedOcc 0
