0 mol 59 unq 0 iso 0 dist 5.81747 7.69638 5.87788 4.90216 4.82623 3.68327 10.9658 9.00229 10.436 8.30217 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 6.81975 7.69638 5.46359 4.90216 6.24283 3.68327 10.9658 12.5405 10.436 8.30217 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.53794 9.4486 18.0271 8.48827 17.4664 4.35598 7.17843 14.6085 11.4999 7.91148 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.53794 9.4486 18.0271 7.14048 16.6402 5.50339 7.17843 14.6085 11.4999 6.59794 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.84346 9.4486 18.5554 8.48827 15.9532 4.35598 7.17843 9.23023 11.4999 7.91148 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.84346 9.4486 18.5554 7.14048 14.6188 5.50339 7.17843 9.23023 11.4999 6.59794 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.16403 5.93987 3.56424 5.04673 5.87274 4.30488 4.73713 10.1525 8.18107 5.42067 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.16403 5.93987 3.56424 5.04673 5.87274 4.30488 4.36394 12.768 9.8859 7.36435 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.16403 7.7913 10.4698 5.04673 5.87274 5.09449 4.73713 10.1525 5.9465 5.42067 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.16403 7.7913 10.4698 5.04673 5.87274 5.09449 4.36394 12.768 6.97962 7.36435 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 9.59503 5.93987 12.49 5.04673 8.46944 4.30488 4.73713 8.4545 8.18107 5.42067 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 9.59503 5.93987 12.49 5.04673 8.46944 4.30488 4.36394 7.01176 9.8859 7.36435 numMergedOcc 0
12 mol 92 unq 6 iso 0 dist 9.59503 7.7913 4.1125 5.04673 8.46944 5.09449 4.73713 8.4545 5.9465 5.42067 numMergedOcc 0
13 mol 92 unq 7 iso 0 dist 9.59503 7.7913 4.1125 5.04673 8.46944 5.09449 4.36394 7.01176 6.97962 7.36435 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 7.08403 5.96967 3.52111 14.0364 8.89481 9.66219 7.02367 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.43293 8.73484 6.71699 8.03124 3.71884 8.87094 6.81949 11.2107 13.082 8.38358 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.12336 6.72323 12.6435 8.52036 5.56456 12.7291 16.4238 10.0854 21.8774 9.72387 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 6.41183 9.17108 5.16197 5.91683 15.3277 9.87644 9.3273 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 7.5447 9.62943 14.0837 9.37245 15.4278 9.10855 4.12904 11.6021 9.07943 8.16252 numMergedOcc 0
19 mol 163 unq 1 iso 0 dist 9.04757 9.62943 6.09134 9.37245 13.5948 9.10855 4.12904 9.63873 9.07943 8.16252 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 8.00063 6.15982 5.71136 12.1014 13.3351 7.44629 8.92592 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 9.718 9.26092 9.53964 9.25184 12.162 11.0674 3.84723 11.8313 11.18 6.85824 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.61629 9.26092 5.82101 9.25184 9.9492 11.0674 3.84723 10.4825 11.18 6.85824 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.86892 9.34735 13.3151 8.71119 11.1928 6.06804 11.8779 14.983 13.1856 9.19385 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 5.86892 9.34735 13.3151 8.71119 11.1928 6.06804 15.4152 19.3531 11.0244 9.1927 numMergedOcc 0
