0 mol 33 unq 0 iso 0 dist 5.65377 7.77567 5.63669 9.06004 3.82411 6.33349 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 7.77567 5.63669 9.34266 4.28598 5.86299 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 5.85008 7.38433 7.28636 5.58536 3.5215 7.34881 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 9.54644 9.0321 15.003 6.6055 11.721 5.06004 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 9.54644 8.88147 7.28636 6.6055 11.721 13.8997 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.61203 7.91401 12.7497 7.07055 7.7289 9.02536 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.61203 8.68643 14.4691 7.07055 7.7289 7.84746 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 9.19143 5.73003 6.21391 8.66819 9.46631 4.52107 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 9.23907 5.21227 6.21391 8.47126 9.46631 4.52107 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 9.22679 5.87154 10.8296 5.18305 9.35964 3.00129 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 9.22679 5.87154 10.8296 6.13025 5.76711 7.41056 numMergedOcc 0
11 mol 123 unq 2 iso 0 dist 9.22679 5.87154 10.8296 6.78431 7.69442 10.7803 numMergedOcc 0
12 mol 123 unq 3 iso 0 dist 9.22679 6.82663 4.6864 5.18305 9.35964 5.2546 numMergedOcc 0
13 mol 123 unq 4 iso 0 dist 9.22679 6.82663 4.6864 6.13025 5.76711 6.33721 numMergedOcc 0
14 mol 123 unq 5 iso 0 dist 9.22679 6.82663 4.6864 6.78431 7.69442 5.79985 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.56967 8.8556 8.61203 6.95058 3.75017 5.64063 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 7.66242 8.8556 5.73429 6.95058 3.84631 5.64063 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.44978 6.08455 7.9666 8.42665 9.80412 3.22102 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.548 7.89319 9.26193 8.18447 4.78337 5.43533 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 5.50393 7.89319 10.5349 8.18447 7.65595 5.43533 numMergedOcc 0
20 mol 257 unq 2 iso 0 dist 6.61807 7.89319 7.38093 8.18447 3.41163 5.43533 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.72248 9.40332 8.40497 8.3831 6.30031 12.6476 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 9.72248 9.40332 8.40497 8.44179 8.78323 12.5852 numMergedOcc 0
23 mol 283 unq 2 iso 0 dist 9.72248 5.8676 8.03948 8.3831 6.30031 3.31521 numMergedOcc 0
24 mol 283 unq 3 iso 0 dist 9.72248 5.8676 8.03948 8.44179 8.78323 5.84931 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.80478 7.86603 6.80232 6.23874 3.76412 3.39991 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 7.80478 7.86603 6.80232 6.68956 5.39384 5.46505 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.80478 7.86603 6.80232 6.23874 3.76412 3.39991 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.80478 7.86603 6.80232 6.68956 5.39384 5.46505 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.80478 7.86603 6.80232 6.23874 3.76412 3.39991 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 7.80478 7.86603 6.80232 6.68956 5.39384 5.46505 numMergedOcc 0
