0 mol 6 unq 0 iso 0 dist 5.17382 7.77356 9.39473 5.56246 8.15992 4.76488 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.49156 7.87871 11.0522 5.6206 4.07334 8.61124 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 7.49156 7.54059 5.60174 5.6206 4.07334 5.1625 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.89504 8.9794 11.1279 7.39431 6.87036 11.3159 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.89504 8.02848 5.59308 7.39431 6.87036 8.50375 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.76838 9.19452 10.8755 7.1837 7.4113 11.6024 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 8.76838 8.03159 5.27861 7.1837 7.4113 8.61909 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 8.76838 7.82543 4.8628 7.1837 7.4113 9.97296 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.96525 8.18659 7.32307 14.9493 8.40918 13.9368 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 9.49935 9.3451 6.59614 7.89186 8.99104 5.50017 numMergedOcc 0
10 mol 253 unq 0 iso 0 dist 9.87163 9.02428 15.6651 8.57316 6.93942 15.0416 numMergedOcc 0
11 mol 253 unq 1 iso 0 dist 9.87163 9.02428 15.6651 7.56518 9.05161 14.9336 numMergedOcc 0
12 mol 253 unq 2 iso 0 dist 7.18927 9.02428 14.0411 8.57316 9.31626 15.0416 numMergedOcc 0
13 mol 253 unq 3 iso 0 dist 7.18927 9.02428 14.0411 7.56518 9.77366 14.9336 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 8.19471 8.25875 8.27114 9.43485 9.87477 15.9006 numMergedOcc 0
15 mol 272 unq 1 iso 0 dist 8.19471 7.45793 10.6582 9.43485 9.87477 12.5578 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 6.71883 5.7245 8.9423 13.2048 7.08681 14.7251 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 6.71883 5.7245 8.9423 4.0507 4.95596 6.01404 numMergedOcc 0
18 mol 285 unq 2 iso 0 dist 6.71883 5.7245 8.9423 8.91965 6.3508 9.14377 numMergedOcc 0
19 mol 285 unq 3 iso 0 dist 6.71883 5.7245 8.9423 7.14533 8.3005 12.1849 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 9.2745 8.1644 15.6606 9.17126 8.73403 16.6386 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 9.2745 9.31742 17.242 9.17126 8.73403 16.2904 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.2745 8.1644 15.6606 9.17126 8.73403 16.6386 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 9.2745 9.31742 17.242 9.17126 8.73403 16.2904 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 9.2745 8.1644 15.6606 9.17126 8.73403 16.6386 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 9.2745 9.31742 17.242 9.17126 8.73403 16.2904 numMergedOcc 0
