0 mol 33 unq 0 iso 0 dist 8.41282 5.84349 11.7716 3.82411 11.9888 4.64187 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.41282 5.84349 11.7716 4.28598 10.4992 7.95437 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 8.64047 6.24296 12.7386 3.81285 12.217 4.29937 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 8.64047 6.24296 12.7386 6.17121 14.7286 5.37869 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 8.64047 6.83218 14.1999 3.81285 12.217 3.65628 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 8.64047 6.83218 14.1999 6.17121 14.7286 4.05415 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.21739 9.43355 4.97727 13.6305 11.2834 6.67678 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.21739 9.43355 4.97727 14.1431 11.0824 7.24956 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.21739 9.43355 4.97727 3.99275 9.30843 8.28591 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.21739 9.43355 4.97727 6.46195 10.0605 9.40687 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.21739 5.64141 5.77343 3.99275 9.30843 5.35008 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.21739 5.64141 5.77343 6.46195 10.0605 8.84576 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.21739 5.46186 11.0802 3.99275 9.30843 8.30921 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.21739 5.46186 11.0802 6.46195 10.0605 7.39732 numMergedOcc 0
14 mol 93 unq 8 iso 0 dist 8.21739 5.46186 11.0802 10.4525 15.3416 9.67744 numMergedOcc 0
15 mol 93 unq 9 iso 0 dist 4.78377 9.43355 13.8087 13.6305 16.8123 6.67678 numMergedOcc 0
16 mol 93 unq 10 iso 0 dist 4.78377 9.43355 13.8087 14.1431 17.3928 7.24956 numMergedOcc 0
17 mol 93 unq 11 iso 0 dist 4.78377 9.43355 13.8087 3.99275 6.25522 8.28591 numMergedOcc 0
18 mol 93 unq 12 iso 0 dist 4.78377 9.43355 13.8087 6.46195 7.87145 9.40687 numMergedOcc 0
19 mol 93 unq 13 iso 0 dist 4.78377 5.64141 9.96831 3.99275 6.25522 5.35008 numMergedOcc 0
20 mol 93 unq 14 iso 0 dist 4.78377 5.64141 9.96831 6.46195 7.87145 8.84576 numMergedOcc 0
21 mol 93 unq 15 iso 0 dist 4.78377 5.46186 5.33894 3.99275 6.25522 8.30921 numMergedOcc 0
22 mol 93 unq 16 iso 0 dist 4.78377 5.46186 5.33894 6.46195 7.87145 7.39732 numMergedOcc 0
23 mol 93 unq 17 iso 0 dist 4.78377 5.46186 5.33894 10.4525 9.30914 9.67744 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 8.70685 5.82551 4.21171 5.47525 12.2066 8.72957 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 7.01483 8.10157 12.5588 3.75216 10.1908 5.12272 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 7.01483 8.10157 12.5588 6.64419 13.6459 8.7121 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.78339 9.22792 16.6117 10.2655 19.0051 6.94594 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.78339 9.22792 16.6117 11.6331 20.0588 5.81881 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 8.78339 5.00402 10.9737 8.73397 11.0184 9.4366 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.84953 5.4767 13.0451 6.58822 13.6882 6.17843 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 7.84953 5.4767 13.0451 9.62149 15.9977 8.52772 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 4.57726 5.4767 3.85314 6.58822 6.62738 6.17843 numMergedOcc 0
33 mol 218 unq 3 iso 0 dist 4.57726 5.4767 3.85314 9.62149 7.13254 8.52772 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 7.10883 7.9002 6.35462 13.7057 14.0772 8.74463 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 6.69569 9.98518 13.2109 3.76412 10.1569 8.06767 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 6.69569 9.98518 13.2109 3.76412 10.1569 8.06767 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.69569 9.98518 13.2109 3.76412 10.1569 8.06767 numMergedOcc 0
