0 mol 37 unq 0 iso 0 dist 9.25986 8.50293 10.3295 8.82649 4.68181 9.82644 numMergedOcc 0
1 mol 37 unq 0 iso 1 dist 9.25986 8.82649 4.68181 8.50293 10.3295 9.82644 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.28673 7.64235 8.21014 6.00623 6.53598 4.51323 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 8.28673 6.00623 6.53598 7.64235 8.21014 4.51323 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.28673 7.64235 8.21014 6.59367 10.9877 9.41248 numMergedOcc 0
5 mol 41 unq 1 iso 1 dist 8.28673 6.59367 10.9877 7.64235 8.21014 9.41248 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 8.28673 6.00623 6.53598 6.59367 10.9877 5.84315 numMergedOcc 0
7 mol 41 unq 1 iso 1 dist 8.28673 6.59367 10.9877 6.00623 6.53598 5.84315 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 6.04551 6.78264 5.90067 8.45484 13.4777 11.0358 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 6.04551 8.45484 13.4777 6.78264 5.90067 11.0358 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 6.31161 6.78264 9.79694 8.45484 6.73491 11.0358 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 6.31161 8.45484 6.73491 6.78264 9.79694 11.0358 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.39046 6.15896 5.04401 7.51187 5.83667 6.29455 numMergedOcc 0
13 mol 86 unq 0 iso 1 dist 8.39046 7.51187 5.83667 6.15896 5.04401 6.29455 numMergedOcc 0
14 mol 86 unq 1 iso 0 dist 8.39947 6.15896 10.3237 7.51187 5.56425 6.29455 numMergedOcc 0
15 mol 86 unq 1 iso 1 dist 8.39947 7.51187 5.56425 6.15896 10.3237 6.29455 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 8.23197 7.65477 7.92946 8.2926 11.791 4.7815 numMergedOcc 0
17 mol 189 unq 0 iso 1 dist 8.23197 8.2926 11.791 7.65477 7.92946 4.7815 numMergedOcc 0
18 mol 189 unq 1 iso 0 dist 8.23197 7.65477 7.92946 9.31713 4.97214 7.14256 numMergedOcc 0
19 mol 189 unq 1 iso 1 dist 8.23197 9.31713 4.97214 7.65477 7.92946 7.14256 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 8.23197 8.2926 11.791 9.31713 4.97214 11.6744 numMergedOcc 0
21 mol 189 unq 1 iso 1 dist 8.23197 9.31713 4.97214 8.2926 11.791 11.6744 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 5.2851 6.20188 6.07589 9.47836 9.95811 5.76653 numMergedOcc 0
23 mol 227 unq 0 iso 1 dist 5.2851 9.47836 9.95811 6.20188 6.07589 5.76653 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 9.13126 5.77356 10.3827 9.24309 12.2148 7.88539 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 9.13126 9.24309 12.2148 5.77356 10.3827 7.88539 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.57184 6.40309 6.23871 7.87164 10.1372 5.39292 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 5.57184 7.87164 10.1372 6.40309 6.23871 5.39292 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 8.61786 5.45375 4.75686 9.9145 10.8282 6.89348 numMergedOcc 0
29 mol 266 unq 0 iso 1 dist 8.61786 9.9145 10.8282 5.45375 4.75686 6.89348 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 8.42706 5.45375 10.3992 9.9145 15.5784 6.89348 numMergedOcc 0
31 mol 266 unq 1 iso 1 dist 8.42706 9.9145 15.5784 5.45375 10.3992 6.89348 numMergedOcc 0
32 mol 293 unq 0 iso 0 dist 8.8788 5.50284 7.15032 8.88355 4.91842 7.08365 numMergedOcc 0
33 mol 293 unq 0 iso 1 dist 8.8788 8.88355 4.91842 5.50284 7.15032 7.08365 numMergedOcc 0
