0 mol 8 unq 0 iso 0 dist 9.95165 12.915 7.3915 11.5028 11.705 8.33604 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.4444 5.95251 7.8922 5.46588 6.69972 8.99126 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 14.662 6.34272 6.00439 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 22.544 15.1136 8.78293 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 9.23617 14.4019 6.92532 13.0619 6.87842 8.23643 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 9.23617 14.4019 6.92532 14.662 6.34272 7.82528 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 9.23617 10.38 6.36455 13.0619 6.87842 8.73972 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 8.59114 5.67097 7.48847 10.1117 6.34272 6.00439 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 8.59114 14.3476 6.92532 22.9923 15.1136 8.78293 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 8.59114 14.3476 6.92532 15.0061 6.87842 8.23643 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 8.59114 14.3476 6.92532 10.1117 6.34272 7.82528 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 8.59114 12.7 6.36455 15.0061 6.87842 8.73972 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 8.63204 15.2051 7.48847 12.7832 6.34272 6.00439 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 8.63204 6.57145 6.92532 10.4026 15.1136 8.78293 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 8.63204 6.57145 6.92532 5.36258 6.87842 8.23643 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 8.63204 6.57145 6.92532 12.7832 6.34272 7.82528 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 8.63204 6.01189 6.36455 5.36258 6.87842 8.73972 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 5.22996 6.09495 6.49956 6.00131 4.36639 8.36431 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 6.0026 6.00843 8.72704 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.73842 5.24877 6.34525 11.3006 14.3491 8.71128 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 12.3154 5.87507 8.66155 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 17.2986 8.96522 9.63176 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 10.4418 5.83002 7.75534 numMergedOcc 0
23 mol 183 unq 0 iso 0 dist 6.40448 5.72 8.54827 8.57818 5.45974 7.01383 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 13.6449 6.8278 6.47873 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 8.63008 10.977 8.83356 11.5995 7.69247 5.48258 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.63008 10.977 8.83356 16.337 13.9521 6.15769 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 8.63008 16.6746 8.2654 13.6449 6.8278 8.38695 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 5.46768 5.34788 7.62942 10.0179 9.08602 8.36117 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 5.46768 5.34788 7.62942 10.0512 8.18628 6.77578 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 12.5474 5.92529 8.17891 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 6.37369 5.23507 9.62609 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 9.33735 10.8811 5.4694 12.5474 5.92529 6.95902 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.98606 6.01492 7.71657 5.45375 8.12927 9.02188 numMergedOcc 0
34 mol 282 unq 0 iso 0 dist 6.91282 11.0508 8.0241 12.5941 5.86276 9.58517 numMergedOcc 0
35 mol 282 unq 1 iso 0 dist 5.51953 7.1564 8.0241 9.30114 5.86276 9.58517 numMergedOcc 0
