0 mol 4 unq 0 iso 0 dist 5.30385 5.60295 6.42755 11.7124 10.6506 7.35416 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 8.18296 4.40652 5.76024 7.99569 5.25297 7.92714 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 8.18296 4.40652 5.76024 12.4882 6.82858 8.47217 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 7.99569 4.40652 7.92714 8.18296 5.25297 5.76024 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 7.99569 4.40652 7.92714 12.4882 11.9461 8.47217 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 9.78918 10.8117 7.25951 6.80314 7.31113 7.92012 numMergedOcc 0
6 mol 17 unq 1 iso 0 dist 6.80314 10.8117 7.92012 9.78918 7.31113 7.25951 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.3964 11.3328 6.72323 16.64 9.92026 5.95834 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.3964 11.3328 6.72323 13.4394 6.16544 4.2121 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 8.3964 11.3328 6.72323 14.7675 10.2653 8.00171 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 5.74593 8.27358 5.50508 11.8611 6.2185 6.77241 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.13064 8.41572 8.74378 7.8962 4.37353 8.89417 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.8962 8.41572 8.89417 7.13064 4.37353 8.74378 numMergedOcc 0
13 mol 125 unq 0 iso 0 dist 7.00113 6.22139 6.11502 9.85979 4.38093 6.33431 numMergedOcc 0
14 mol 125 unq 1 iso 0 dist 9.85979 6.22139 6.33431 7.00113 4.38093 6.11502 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.32407 5.9261 9.73158 6.48695 5.41583 7.59327 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.48695 5.9261 7.59327 7.32407 5.41583 9.73158 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.36723 5.65957 8.42748 10.9439 9.63809 6.84835 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.4751 5.72737 7.22518 5.75085 3.98338 7.58499 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.4751 6.4423 5.25109 5.75085 3.98338 8.21618 numMergedOcc 0
20 mol 171 unq 2 iso 0 dist 5.75085 5.72737 7.58499 6.4751 3.98338 7.22518 numMergedOcc 0
21 mol 171 unq 3 iso 0 dist 5.75085 6.4423 8.21618 6.4751 3.98338 5.25109 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.03403 5.80215 5.94379 14.4329 11.5564 8.86197 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 7.37823 8.7874 8.26288 11.0417 9.52218 6.60053 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.09776 4.44921 6.38324 5.4455 9.4131 6.1886 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 5.4455 4.44921 6.1886 8.09776 9.4131 6.38324 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 6.57575 8.8996 6.38324 10.9722 9.4131 6.1886 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 9.30761 8.70006 6.38324 14.789 9.4131 6.1886 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 9.25162 15.3266 9.8664 17.7969 16.4381 9.78181 numMergedOcc 0
