0 mol 61 unq 0 iso 0 dist 7.3754 9.2621 5.85694 5.91456 9.04549 7.97386 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 7.3754 8.74608 9.84981 5.91456 9.04549 8.3814 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.57749 5.45733 9.08666 7.29064 8.43162 9.8048 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 5.75102 8.25891 10.2512 12.796 16.5182 7.12853 numMergedOcc 0
4 mol 104 unq 0 iso 0 dist 6.14066 7.00359 5.78815 5.30572 5.71279 7.32917 numMergedOcc 0
5 mol 104 unq 1 iso 0 dist 6.14066 9.41597 10.2942 5.30572 5.71279 8.84844 numMergedOcc 0
6 mol 165 unq 0 iso 0 dist 3.87901 7.29604 6.27901 8.4352 7.21397 7.8052 numMergedOcc 0
7 mol 165 unq 1 iso 0 dist 3.87901 7.29604 6.27901 9.88989 10.206 8.20329 numMergedOcc 0
8 mol 165 unq 2 iso 0 dist 5.04534 9.21329 6.27901 5.73847 7.21397 7.8052 numMergedOcc 0
9 mol 165 unq 3 iso 0 dist 5.04534 9.21329 6.27901 8.51209 10.206 8.20329 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 5.11555 9.68098 7.64386 6.76607 9.10995 9.56869 numMergedOcc 0
11 mol 174 unq 1 iso 0 dist 5.11555 9.68098 7.64386 7.07926 9.45435 7.37131 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 9.39563 6.66619 12.9481 9.52044 18 8.49577 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.66083 8.95183 8.17619 6.48083 5.25149 9.57625 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.66083 8.95183 8.17619 6.54824 8.6368 8.08702 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 9.73318 6.28288 11.6337 4.11548 8.51703 8.59384 numMergedOcc 0
16 mol 250 unq 1 iso 0 dist 5.75551 6.28288 5.95822 4.11548 5.07895 8.59384 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.11602 9.13071 11.7624 6.64598 5.15923 9.30394 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 9.11602 9.13071 11.7624 13.4002 11.2356 8.5458 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 9.11602 9.13071 11.7624 16.0855 15.1646 8.47385 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 9.11602 9.13071 11.7624 17.1463 19.7333 8.44356 numMergedOcc 0
21 mol 287 unq 4 iso 0 dist 9.11602 8.19596 5.58788 6.64598 5.15923 5.84467 numMergedOcc 0
22 mol 287 unq 5 iso 0 dist 9.11602 8.19596 5.58788 13.4002 11.2356 8.56533 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 9.11602 9.13071 11.7624 6.64598 5.15923 9.30394 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 9.11602 9.13071 11.7624 13.4002 11.2356 8.5458 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 9.11602 9.13071 11.7624 16.0855 15.1646 8.47385 numMergedOcc 0
26 mol 288 unq 3 iso 0 dist 9.11602 9.13071 11.7624 17.1463 19.7333 8.44356 numMergedOcc 0
27 mol 288 unq 4 iso 0 dist 9.11602 8.19596 5.58788 6.64598 5.15923 5.84467 numMergedOcc 0
28 mol 288 unq 5 iso 0 dist 9.11602 8.19596 5.58788 13.4002 11.2356 8.56533 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 9.11602 9.13071 11.7624 6.64598 5.15923 9.30394 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 9.11602 9.13071 11.7624 13.4002 11.2356 8.5458 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 9.11602 9.13071 11.7624 16.0855 15.1646 8.47385 numMergedOcc 0
32 mol 289 unq 3 iso 0 dist 9.11602 9.13071 11.7624 17.1463 19.7333 8.44356 numMergedOcc 0
33 mol 289 unq 4 iso 0 dist 9.11602 8.19596 5.58788 6.64598 5.15923 5.84467 numMergedOcc 0
34 mol 289 unq 5 iso 0 dist 9.11602 8.19596 5.58788 13.4002 11.2356 8.56533 numMergedOcc 0
