0 mol 24 unq 0 iso 0 dist 5.22014 7.14863 6.36381 10.212 7.27472 5.80023 6.40189 3.73215 9.49646 8.87744 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.93454 3.93956 9.81143 10.6266 7.18022 9.84195 9.06898 3.39994 9.78839 6.24711 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.06898 3.93956 9.78839 10.6266 6.24711 9.84195 7.93454 3.39994 9.81143 7.18022 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 9.55954 9.72874 7.55644 6.529 6.53308 6.46605 7.06277 7.04263 12.2036 7.47974 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.44426 9.91645 8.3505 4.70157 5.92242 10.4417 7.63284 9.6331 7.34638 7.02507 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.44426 9.91645 8.3505 6.21302 5.2571 11.3628 10.877 6.70343 14.2657 7.54889 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.44426 9.91645 8.3505 11.2075 8.7497 13.9599 10.877 6.70343 14.2657 7.78931 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 7.63284 9.91645 7.34638 4.70157 7.02507 10.4417 5.44426 9.6331 8.3505 5.92242 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 7.63284 7.54723 6.0995 4.70157 7.02507 9.63267 5.44426 9.6331 8.32269 5.92242 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 8.65429 12.341 5.33961 9.9123 7.54889 12.7318 13.0419 6.70343 10.5543 5.2571 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 8.65429 12.341 5.33961 8.49566 7.78931 12.3835 13.0419 6.70343 10.5543 8.7497 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 8.65429 12.5957 9.29816 9.9123 7.54889 14.676 13.0419 6.70343 12.9554 5.2571 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 8.65429 12.5957 9.29816 8.49566 7.78931 16.3389 13.0419 6.70343 12.9554 8.7497 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 8.65429 4.74936 5.08983 9.9123 7.54889 7.1452 13.0419 6.70343 9.58039 5.2571 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 8.65429 4.74936 5.08983 8.49566 7.78931 4.96747 13.0419 6.70343 9.58039 8.7497 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 5.33967 8.86634 6.67635 5.15479 7.86666 10.0698 5.93561 7.49425 13.1156 6.29161 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.21978 11.9272 8.42219 6.86762 9.42082 11.8122 6.17349 11.044 16.5482 7.69765 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.62413 4.04119 6.53559 5.57978 5.51197 6.43966 8.4375 5.94312 8.23699 6.69691 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.62413 4.04119 6.53559 5.57978 5.51197 6.43966 6.93102 9.74141 7.90844 8.86944 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 8.62413 10.1824 8.09774 5.57978 5.51197 5.56946 8.4375 5.94312 11.4776 6.69691 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 8.62413 10.1824 8.09774 5.57978 5.51197 5.56946 6.93102 9.74141 14.427 8.86944 numMergedOcc 0
21 mol 129 unq 4 iso 0 dist 6.93102 4.04119 7.90844 5.57978 8.86944 6.43966 8.62413 9.74141 6.53559 5.51197 numMergedOcc 0
22 mol 129 unq 5 iso 0 dist 6.93102 4.04119 7.90844 5.57978 8.86944 6.43966 8.4375 5.35495 8.23699 6.69691 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 9.8564 17.8575 8.78303 14.9183 8.69531 6.36794 8.91647 5.83782 10.6236 9.1998 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.28282 3.8834 6.52441 11.3614 7.2793 11.7795 10.9209 3.47886 8.16639 9.51091 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.28282 3.8834 6.52441 11.3614 7.2793 11.7795 17.6973 12.5618 18.1478 7.85184 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 9.67667 9.31539 6.0033 9.73282 9.10817 7.56497 19.3791 16.8666 14.8201 9.73548 numMergedOcc 0
