0 mol 54 unq 0 iso 0 dist 9.70196 4.64745 8.16246 6.04354 6.36332 7.98493 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.25341 4.64745 9.48823 6.04354 4.66088 7.98493 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.94667 9.38462 9.04549 14.1864 8.51478 8.03732 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.23356 5.86578 6.56481 9.79739 7.61507 7.2533 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 7.82249 4.41948 7.79078 10.3227 5.11174 7.84382 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 8.83811 12.0212 8.64054 18.1022 10.7459 8.28523 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 8.72039 7.53392 9.39389 5.73579 4.88005 9.46097 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.9268 15.4372 8.76088 19.8724 13.4109 9.31413 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.19166 14.3705 8.76088 20.1949 13.4109 9.31413 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 12.8433 5.90418 7.14478 numMergedOcc 0
10 mol 159 unq 1 iso 0 dist 7.52779 10.242 9.9368 12.8433 10.6328 7.14478 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 10.8521 6.02436 8.32546 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 17.2127 10.8561 9.0323 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 13.0709 10.8561 9.0323 numMergedOcc 0
14 mol 250 unq 0 iso 0 dist 9.88044 7.15398 8.51703 12.315 8.77283 9.83369 numMergedOcc 0
15 mol 250 unq 1 iso 0 dist 9.88044 6.13352 5.07895 13.6903 5.55347 9.31494 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.53084 11.0749 8.58092 14.0024 8.11944 5.04068 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.53084 5.81432 7.40014 14.0024 8.11944 9.52075 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 5.9223 9.26732 8.58092 10.5751 8.11944 5.04068 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 5.9223 6.72414 7.40014 10.5751 8.11944 9.52075 numMergedOcc 0
20 mol 258 unq 4 iso 0 dist 8.17026 6.30651 5.53369 14.5784 11.6915 9.97041 numMergedOcc 0
21 mol 258 unq 5 iso 0 dist 8.17026 6.30651 5.53369 12.0743 5.59973 9.29827 numMergedOcc 0
22 mol 258 unq 6 iso 0 dist 8.43002 6.30651 8.57274 14.5784 10.6916 9.97041 numMergedOcc 0
23 mol 258 unq 7 iso 0 dist 8.43002 6.30651 8.57274 12.0743 12.3641 9.29827 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 8.5774 7.53666 7.52632 13.3804 5.34511 9.35563 numMergedOcc 0
25 mol 265 unq 1 iso 0 dist 9.94957 4.47698 7.52632 10.5215 5.34511 9.35563 numMergedOcc 0
26 mol 265 unq 2 iso 0 dist 8.01664 5.62902 7.52632 11.3817 5.34511 9.35563 numMergedOcc 0
