0 mol 11 unq 0 iso 0 dist 8.73067 7.5901 7.98326 13.873 8.05578 7.90478 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.73067 12.5553 7.46578 13.873 8.05578 7.16561 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.09091 8.17605 7.98326 14.1794 8.00765 7.46578 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.09091 12.9594 7.90478 14.1794 8.00765 7.16561 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 7.82406 6.31299 7.25951 9.877 7.31113 7.92012 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 9.877 6.31299 7.92012 7.82406 7.31113 7.25951 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.63839 6.06874 8.88938 10.7875 12.6805 6.25843 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.63599 11.51 8.87742 15.9914 7.7277 8.03296 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.63599 11.51 8.87742 12.6003 7.2005 5.82754 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 9.63599 7.82761 4.93468 15.9914 7.7277 9.26979 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 9.63599 7.82761 4.93468 12.6003 7.2005 9.05679 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 7.87237 5.97134 9.26979 11.031 7.21092 8.03296 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 7.87237 9.00783 9.05679 11.031 7.21092 5.82754 numMergedOcc 0
13 mol 79 unq 6 iso 0 dist 7.87237 4.52595 4.93468 12.9276 8.25967 9.78384 numMergedOcc 0
14 mol 79 unq 7 iso 0 dist 7.87237 4.52595 4.93468 11.031 7.21092 8.87742 numMergedOcc 0
15 mol 79 unq 8 iso 0 dist 8.01743 11.4135 8.87742 12.5384 7.7277 8.03296 numMergedOcc 0
16 mol 79 unq 9 iso 0 dist 8.01743 11.4135 8.87742 13.5439 7.2005 5.82754 numMergedOcc 0
17 mol 79 unq 10 iso 0 dist 8.01743 4.58851 4.93468 12.5384 7.7277 9.26979 numMergedOcc 0
18 mol 79 unq 11 iso 0 dist 8.01743 4.58851 4.93468 13.5439 7.2005 9.05679 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.41399 6.61001 6.84835 6.71555 9.63809 8.42748 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.71555 6.61001 8.42748 7.41399 9.63809 6.84835 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 4.25566 7.64948 9.83945 7.31037 6.33946 6.75376 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 4.25566 7.64948 9.83945 13.4855 12.8394 9.10042 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 6.63171 14.2837 9.83945 12.7865 6.33946 6.75376 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 6.63171 14.2837 9.83945 19.1528 12.8394 9.10042 numMergedOcc 0
25 mol 141 unq 4 iso 0 dist 7.67273 10.6379 9.83945 11.4979 6.33946 6.75376 numMergedOcc 0
26 mol 141 unq 5 iso 0 dist 7.67273 10.6379 9.83945 16.7871 12.8394 9.10042 numMergedOcc 0
27 mol 141 unq 6 iso 0 dist 7.31037 7.64948 6.75376 4.25566 6.33946 9.83945 numMergedOcc 0
28 mol 141 unq 7 iso 0 dist 7.31037 7.64948 6.75376 13.4855 6.59975 9.10042 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.30946 8.79853 8.21184 11.3161 6.12113 5.9976 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.30946 5.69209 5.41575 11.3161 6.12113 6.86566 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 6.05323 11.9671 8.21184 9.81983 4.40883 5.41575 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 6.05323 8.69711 5.9976 9.81983 4.40883 6.86566 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.06217 8.15174 8.86197 13.8577 11.5564 5.94379 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 7.13252 11.047 8.86197 16.1018 11.5564 5.94379 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 6.32777 7.23063 8.86197 11.5642 9.87773 7.32087 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 7.33225 8.38671 6.60053 14.6388 9.52218 8.26288 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 9.3402 5.63279 6.38324 11.6497 9.4131 6.1886 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.10413 10.9886 9.78181 12.9353 16.4381 9.8664 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 9.18903 10.4051 6.37963 11.592 4.56465 4.98734 numMergedOcc 0
40 mol 256 unq 1 iso 0 dist 9.18903 10.4051 6.37963 17.4138 12.3316 8.16803 numMergedOcc 0
41 mol 256 unq 2 iso 0 dist 9.18903 13.9633 6.00636 11.592 4.56465 6.33496 numMergedOcc 0
42 mol 256 unq 3 iso 0 dist 9.18903 13.9633 6.00636 20.529 11.7084 7.81448 numMergedOcc 0
43 mol 256 unq 4 iso 0 dist 9.18903 13.9633 6.00636 18.919 10.9861 8.54499 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.20749 4.60275 9.16942 11.4246 11.6106 6.88827 numMergedOcc 0
