0 mol 20 unq 0 iso 0 dist 8.45034 13.3556 9.4228 10.7036 9.74724 16.7341 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45034 13.3556 9.4228 10.0419 9.13347 14.3516 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.26289 5.998 9.32771 3.94866 5.31095 7.89865 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 15.5854 9.43843 13.3089 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.27456 4.49 8.77199 7.41484 7.67463 10.3737 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 9.27456 5.8457 8.81824 15.5854 9.43843 16.2205 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 9.27456 5.8457 8.81824 7.41484 7.67463 8.37717 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 6.64933 4.0486 9.54952 4.56066 9.06249 6.27514 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.64544 9.43289 9.78235 9.79765 9.33968 4.79453 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.64544 3.97343 8.92069 9.79765 9.33968 6.34112 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 4.83495 6.88024 8.99376 7.62353 5.16779 13.2837 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 5.11803 6.88024 7.37948 7.62353 6.69121 13.2837 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 4.78944 3.94206 6.60331 8.19217 9.60854 7.15495 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 4.78944 7.58348 9.22311 8.19217 9.60854 14.6858 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.43487 11.0812 5.82487 3.74516 8.46167 11.6076 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.43487 11.0812 5.82487 7.32784 6.13175 7.84907 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 9.43487 11.0812 5.82487 8.46561 4.34107 4.11536 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 9.97052 8.67499 5.82487 11.4966 8.46167 11.6076 numMergedOcc 0
18 mol 113 unq 4 iso 0 dist 9.97052 8.67499 5.82487 11.9142 6.13175 7.84907 numMergedOcc 0
19 mol 113 unq 5 iso 0 dist 9.97052 8.67499 5.82487 9.75283 4.34107 4.11536 numMergedOcc 0
20 mol 113 unq 6 iso 0 dist 7.3324 5.19652 5.82487 13.8072 8.46167 11.6076 numMergedOcc 0
21 mol 113 unq 7 iso 0 dist 7.3324 5.19652 5.82487 8.67805 6.13175 7.84907 numMergedOcc 0
22 mol 113 unq 8 iso 0 dist 7.3324 5.19652 5.82487 6.03962 4.34107 4.11536 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.06801 11.1874 8.86966 12.8334 7.78215 4.73288 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.06801 8.36099 5.7527 12.8334 7.78215 4.70284 numMergedOcc 0
25 mol 157 unq 0 iso 0 dist 6.09357 3.99423 7.52643 6.11737 5.32542 4.54378 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 9.18848 11.6657 9.53821 3.72916 9.67263 13.173 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 8.99034 6.00067 9.48488 10.0292 9.67872 8.36443 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 6.38964 10.3584 9.62822 10.3421 7.51798 4.94346 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 6.38964 5.70669 7.03546 10.3421 7.51798 9.1131 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 6.96758 12.271 8.76788 3.81283 7.89625 10.9871 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 7.81415 11.0354 8.25636 15.5185 9.74797 8.94298 numMergedOcc 0
32 mol 283 unq 1 iso 0 dist 7.81415 11.0354 8.25636 6.35533 9.90494 11.1503 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 6.08044 9.67708 9.29241 7.11108 8.70479 4.21609 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.8956 15.5716 9.29241 13.1778 8.70479 4.21609 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 6.08044 9.67708 9.29241 7.11108 8.70479 4.21609 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 8.8956 15.5716 9.29241 13.1778 8.70479 4.21609 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.08044 9.67708 9.29241 7.11108 8.70479 4.21609 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.8956 15.5716 9.29241 13.1778 8.70479 4.21609 numMergedOcc 0
