0 mol 1 unq 0 iso 0 dist 8.3673 5.84337 6.86701 6.28655 5.96833 5.11735 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.60736 11.4242 8.85174 6.66625 9.51568 6.67334 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.33273 5.27705 7.26268 11.3911 8.74576 6.68431 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.87762 12.9926 7.18022 15.2801 7.79336 5.32981 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.21762 12.9926 6.24711 15.2801 7.08559 5.32981 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.21762 12.9926 6.24711 9.63453 8.63635 8.90278 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 9.06787 5.87231 7.28228 11.0471 7.11695 5.50513 numMergedOcc 0
7 mol 53 unq 1 iso 0 dist 9.06787 5.87231 7.28228 15.2861 7.58093 10.8486 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 5.40287 6.82279 8.66539 6.1599 7.03126 10.8078 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 5.40287 6.82279 8.66539 11.2024 9.68228 6.35371 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 5.40287 5.52874 5.38524 6.1599 7.03126 5.98837 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 5.40287 5.52874 5.38524 11.2024 9.68228 8.48255 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 5.40287 9.02602 8.69057 6.1599 7.03126 4.55117 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 5.40287 9.02602 8.69057 11.2024 9.68228 13.3401 numMergedOcc 0
14 mol 62 unq 0 iso 0 dist 5.6359 11.4221 9.69044 7.29999 9.1062 11.7069 numMergedOcc 0
15 mol 62 unq 1 iso 0 dist 5.6359 4.05764 6.9103 7.29999 9.1062 5.49555 numMergedOcc 0
16 mol 67 unq 0 iso 0 dist 5.35145 6.45647 8.3733 8.6915 8.96498 10.331 numMergedOcc 0
17 mol 144 unq 0 iso 0 dist 8.85737 7.12825 7.64028 15.8553 9.09684 10.4074 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 8.82192 7.05046 9.04757 11.995 5.41078 9.18212 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 6.20862 4.72643 8.1945 6.299 8.91356 10.7506 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 6.20862 4.72643 8.1945 9.63082 9.59574 7.12954 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 6.20862 9.6289 6.50998 6.299 8.91356 8.69249 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 6.20862 9.6289 6.50998 9.63082 9.59574 14.2819 numMergedOcc 0
23 mol 225 unq 4 iso 0 dist 7.27888 15.1562 8.1945 13.7014 8.91356 10.7506 numMergedOcc 0
24 mol 225 unq 5 iso 0 dist 7.27888 15.1562 8.1945 13.9767 9.59574 7.12954 numMergedOcc 0
25 mol 225 unq 6 iso 0 dist 7.27888 5.92569 6.50998 13.7014 8.91356 8.69249 numMergedOcc 0
26 mol 225 unq 7 iso 0 dist 7.27888 5.92569 6.50998 13.9767 9.59574 14.2819 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 7.86214 10.8561 8.51625 6.99665 6.01775 8.96098 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 5.29501 5.19558 8.51625 4.43794 6.01775 8.96098 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 8.81206 6.48373 8.51625 11.2489 6.01775 8.96098 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 11.4659 6.23661 5.79468 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.93282 15.3167 6.9899 11.4659 6.23661 5.31048 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.51394 6.89449 7.45616 13.7013 8.59762 7.23534 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 9.51394 6.89449 7.45616 13.7013 8.59762 7.23534 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 9.51394 6.89449 7.45616 13.7013 8.59762 7.23534 numMergedOcc 0
