0 mol 26 unq 0 iso 0 dist 9.90242 5.97065 5.88467 8.69142 10.1664 4.98603 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.07029 5.97065 6.66387 8.69142 10.5687 4.98603 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 5.20647 7.12852 9.73258 4.9737 4.04528 6.78223 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 5.83051 7.12852 6.46914 4.9737 4.75209 6.78223 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.12062 5.73257 10.7494 7.66913 10.8394 4.41248 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.35249 6.21143 5.27577 9.46449 9.2388 9.84993 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.2794 8.06918 11.9871 6.13606 4.12515 9.29381 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.2794 7.52623 9.5704 6.13606 4.12515 6.40963 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 9.2794 5.62294 10.9277 6.13606 4.12515 8.69313 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.32868 9.62702 4.47011 6.15011 11.8069 13.5159 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.32868 6.97484 11.9916 6.15011 11.8069 6.50817 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.26722 4.95674 4.49984 9.29665 5.21047 6.61001 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.78 7.17226 4.49984 5.08086 5.21047 6.61001 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 9.71025 5.81632 6.28784 8.85675 10.3128 4.70993 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.51112 8.64561 5.86183 5.0778 4.58275 4.65391 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.95136 6.37411 15.2718 6.32542 4.8012 11.9538 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 6.3344 5.20111 4.45815 9.17634 7.34675 4.68679 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 6.67272 9.51038 4.91346 9.37981 5.94294 5.70052 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.45332 9.51038 11.4807 9.37981 11.9903 5.70052 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 5.65943 7.54327 4.21173 5.74541 6.06471 5.70413 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.91126 6.43838 5.85485 4.46919 3.93066 4.29892 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 6.91126 9.24964 14.9183 4.46919 3.93066 13.128 numMergedOcc 0
22 mol 235 unq 2 iso 0 dist 9.48967 6.43838 15.6099 4.46919 13.0408 4.29892 numMergedOcc 0
23 mol 235 unq 3 iso 0 dist 9.48967 9.24964 4.28284 4.46919 13.0408 13.128 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.41373 6.89216 5.98329 6.65465 5.62227 10.3871 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.58667 9.28545 13.5948 7.64361 13.7282 5.7252 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.01542 9.28545 4.29127 7.64361 4.60075 5.7252 numMergedOcc 0
