0 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 12.1186 8.85416 13.7301 5.68492 5.1488 8.68586 11.6323 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.85416 9.99634 6.43864 12.1186 5.66803 12.0432 8.21081 7.77991 9.80142 10.0913 numMergedOcc 0
2 mol 64 unq 2 iso 0 dist 8.85416 9.99634 6.43864 12.1186 5.66803 12.0432 11.6323 5.1488 9.54144 5.68492 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.0928 5.73235 11.7544 13.8036 16.993 9.49449 15.1393 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 7.62644 9.53368 7.51358 5.5768 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 10.8096 6.54532 8.93296 4.56692 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 9.90256 8.91602 11.2095 6.69898 7.57471 11.835 7.62644 9.53368 8.32298 5.5768 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 5.5768 9.53368 7.51358 7.62644 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 4.56692 6.54532 8.93296 10.8096 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 11.1364 11.0056 7.51358 7.62644 numMergedOcc 0
10 mol 87 unq 6 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 16.0648 14.1892 8.93296 10.8096 numMergedOcc 0
11 mol 87 unq 7 iso 0 dist 5.62336 9.03114 7.26523 5.38943 5.63748 8.91602 11.1364 11.0056 8.32298 7.62644 numMergedOcc 0
12 mol 87 unq 8 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 7.62644 11.0056 7.51358 11.1364 numMergedOcc 0
13 mol 87 unq 9 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 10.8096 14.1892 8.93296 16.0648 numMergedOcc 0
14 mol 87 unq 10 iso 0 dist 5.63748 8.91602 7.26523 5.38943 5.62336 9.03114 7.62644 11.0056 8.32298 11.1364 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 8.36743 8.57909 11.646 5.84883 6.06039 6.73814 6.14032 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 10.2578 13.8845 9.8589 14.5653 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 6.38294 8.57361 6.35993 8.74557 9.47321 13.531 8.33972 10.5796 6.50241 13.8163 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 13.377 20.2964 6.97182 18.2724 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 9.36638 16.417 6.1175 15.9378 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 10.4277 15.2861 6.84247 15.536 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 12.6281 13.108 6.99002 8.64866 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 11.4732 10.3387 7.17676 11.5567 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 14.1057 14.2759 6.68463 13.6657 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 8.63249 6.36941 7.45579 15.386 7.74348 12.2331 11.4732 10.3387 5.34718 11.5567 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 7.25618 9.67877 15.0574 7.64421 8.70193 17.1491 13.6436 20.2888 6.49982 19.9744 numMergedOcc 0
