0 mol 54 unq 0 iso 0 dist 6.59498 7.54869 4.12189 5.41984 9.51017 11.0361 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.59498 7.54869 4.12189 9.64296 8.47212 11.7969 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 6.59498 6.29729 5.62305 5.41984 9.51017 11.4465 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 6.59498 6.29729 5.62305 9.64296 8.47212 13.1437 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.70386 7.06827 8.95233 8.1839 7.09184 8.94945 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.93754 8.83265 7.80518 3.71335 6.69184 10.1147 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.43163 8.83265 11.1406 10.249 8.98208 11.0416 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 4.65085 9.19402 7.84269 6.03473 8.92491 7.47794 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 4.65085 9.19402 7.84269 6.68667 7.41861 14.8046 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 7.08275 6.929 8.98235 4.48565 7.66873 11.0404 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 7.3607 5.8729 4.94374 11.4974 9.82647 13.4782 numMergedOcc 0
11 mol 109 unq 2 iso 0 dist 7.3607 6.73551 4.87406 11.4974 9.82647 10.0102 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.45405 8.92484 9.51779 4.06023 4.77515 10.5028 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.99206 6.70271 5.34829 7.59533 9.56319 12.969 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.99206 6.70271 5.34829 9.61802 9.73038 9.50322 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 5.99206 6.2109 9.67676 7.59533 9.56319 9.84918 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 5.99206 6.2109 9.67676 9.61802 9.73038 5.82404 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 7.4615 6.70271 9.47995 15.3904 9.48694 14.7937 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 7.4615 6.70271 9.47995 7.59533 6.65267 12.969 numMergedOcc 0
19 mol 133 unq 6 iso 0 dist 7.4615 6.2109 10.9364 15.3904 9.48694 19.6862 numMergedOcc 0
20 mol 133 unq 7 iso 0 dist 7.4615 6.2109 10.9364 7.59533 6.65267 9.84918 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.60183 6.40983 5.04299 4.42815 9.44038 8.87534 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 9.42656 9.58629 15.2413 5.90059 9.84479 13.0235 numMergedOcc 0
23 mol 268 unq 0 iso 0 dist 9.36602 7.71964 10.6287 13.6968 9.73984 18.3446 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.73489 8.61945 15.5667 7.14793 8.99435 14.5837 numMergedOcc 0
