0 mol 30 unq 0 iso 0 dist 9.48779 11.3315 5.19692 15.6743 8.7817 5.59189 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 9.48779 11.3315 5.19692 14.7063 7.55415 7.78507 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 5.82266 8.26119 5.19692 8.03687 8.7817 5.59189 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 5.82266 8.26119 5.19692 5.00923 7.55415 7.78507 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 5.26067 5.23627 5.19692 7.68563 8.7817 5.59189 numMergedOcc 0
5 mol 30 unq 5 iso 0 dist 5.26067 5.23627 5.19692 6.96216 7.55415 7.78507 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 9.60039 9.33116 6.94742 12.8479 7.76282 6.43322 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.61883 8.27737 6.59232 13.4243 8.85586 6.71593 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.61883 8.27737 6.59232 6.00133 5.16364 5.72472 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.28845 6.31725 9.53053 5.99126 8.86674 7.6662 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.36142 8.09006 6.51666 10.9847 9.44561 10.6649 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.36142 5.73676 8.21549 10.9847 9.44561 6.35372 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.2882 11.0091 7.5344 13.0713 8.86329 8.25445 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 7.2882 11.0091 7.5344 11.4089 8.71039 11.8349 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 7.61925 12.4451 8.99141 12.0888 9.43259 5.73002 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 7.61925 9.49078 8.60938 12.0888 9.43259 16.8259 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.47863 16.7137 8.53457 11.354 7.63018 13.2569 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 9.64399 11.7748 5.51163 16.0775 9.09271 5.53578 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 9.64399 11.7748 5.51163 15.033 7.44838 7.7551 numMergedOcc 0
19 mol 230 unq 2 iso 0 dist 5.74356 8.29556 5.51163 8.4421 9.09271 5.53578 numMergedOcc 0
20 mol 230 unq 3 iso 0 dist 5.74356 8.29556 5.51163 5.04708 7.44838 7.7551 numMergedOcc 0
21 mol 230 unq 4 iso 0 dist 5.13701 5.21411 5.51163 7.60811 9.09271 5.53578 numMergedOcc 0
22 mol 230 unq 5 iso 0 dist 5.13701 5.21411 5.51163 6.84232 7.44838 7.7551 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.16438 6.20314 7.22411 8.29672 6.39158 10.6339 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 9.16438 6.20314 7.22411 11.1407 7.75722 6.25956 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 8.17754 4.52443 9.62803 5.8618 9.63775 5.72209 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.13006 10.3046 6.49719 14.5343 9.64269 11.8274 numMergedOcc 0
27 mol 272 unq 1 iso 0 dist 9.13006 10.3046 6.49719 10.3334 6.88809 5.81271 numMergedOcc 0
28 mol 272 unq 2 iso 0 dist 9.13006 10.3046 6.49719 7.59176 8.46061 11.2831 numMergedOcc 0
29 mol 272 unq 3 iso 0 dist 9.13006 4.91429 5.7564 14.5343 9.64269 11.082 numMergedOcc 0
30 mol 272 unq 4 iso 0 dist 9.13006 4.91429 5.7564 10.3334 6.88809 5.82123 numMergedOcc 0
31 mol 272 unq 5 iso 0 dist 9.13006 4.91429 5.7564 7.59176 8.46061 6.72149 numMergedOcc 0
32 mol 272 unq 6 iso 0 dist 8.42563 14.1895 6.49719 10.4754 9.64269 11.8274 numMergedOcc 0
33 mol 272 unq 7 iso 0 dist 8.42563 14.1895 6.49719 12.8342 6.88809 5.81271 numMergedOcc 0
34 mol 272 unq 8 iso 0 dist 8.42563 14.1895 6.49719 12.6468 8.46061 11.2831 numMergedOcc 0
35 mol 272 unq 9 iso 0 dist 8.42563 13.6939 5.7564 10.4754 9.64269 11.082 numMergedOcc 0
36 mol 272 unq 10 iso 0 dist 8.42563 13.6939 5.7564 12.8342 6.88809 5.82123 numMergedOcc 0
37 mol 272 unq 11 iso 0 dist 8.42563 13.6939 5.7564 12.6468 8.46061 6.72149 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 5.26264 4.58172 7.92537 9.82157 8.29305 13.9298 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 5.26264 4.58172 7.92537 5.17146 6.43341 9.73122 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 5.69383 14.7178 9.72264 4.85878 5.23193 11.2259 numMergedOcc 0
