0 mol 4 unq 0 iso 0 dist 4.88114 6.66589 7.86036 7.88748 9.81212 4.90612 8.98718 9.06123 14.5471 16.8354 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 4.88114 6.66589 7.86036 7.88748 9.81212 4.90612 5.52224 9.22272 11.7921 12.123 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.86972 8.86547 10.4994 7.17698 5.31226 6.37474 5.60016 9.18985 14.162 11.9166 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 5.86972 8.86547 10.4994 4.74069 4.57886 6.10572 5.60016 9.18985 14.162 10.1111 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.01454 5.36645 9.26483 6.68961 6.1565 7.14094 10.7098 6.99001 15.4171 12.4791 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 9.899 14.2457 13.4227 14.0821 8.8633 17.1477 21.0964 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.3473 7.02352 9.96083 9.899 14.2457 4.70856 14.0821 8.8633 17.5067 21.0964 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.954 9.42819 8.35998 6.51243 5.09521 5.65603 16.1423 9.25835 17.1274 14.2344 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 8.39573 5.71744 5.93724 5.39949 6.66608 6.41453 5.99437 numMergedOcc 0
9 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 8.3704 5.05436 11.3569 6.66401 9.30312 7.59632 13.4617 numMergedOcc 0
10 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 8.3704 5.05436 4.78402 6.66401 9.30312 10.3776 13.4617 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 7.80764 9.94212 4.67731 7.5808 7.74459 9.46742 10.5593 6.64193 7.48463 13.9181 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 7.80764 7.34316 11.4951 7.5808 7.74459 5.30405 10.5593 6.64193 16.4299 13.9181 numMergedOcc 0
13 mol 223 unq 2 iso 0 dist 5.75896 9.94212 7.19485 7.5808 4.53638 9.46742 5.64061 8.12403 10.0619 11.8787 numMergedOcc 0
14 mol 223 unq 3 iso 0 dist 5.75896 7.34316 5.18719 7.5808 4.53638 5.30405 5.64061 8.12403 10.8051 11.8787 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 5.36326 3.56689 5.13732 6.66792 6.48885 10.0553 5.05368 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 9.3974 12.4865 12.7772 7.30348 7.48445 12.7167 12.9964 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 9.3974 12.4865 8.67903 7.30348 7.48445 13.0012 12.9964 numMergedOcc 0
