0 mol 11 unq 0 iso 0 dist 8.73067 4.79838 6.76736 7.5901 7.98326 9.81983 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.73067 4.79838 6.76736 12.5553 7.46578 13.0898 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.09091 5.25331 6.51674 8.17605 7.98326 10.0282 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.09091 5.25331 6.51674 12.9594 7.90478 13.2204 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.02548 7.40236 6.08459 5.90856 9.95212 12.8274 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 5.82366 6.38574 5.31883 11.4087 9.95212 12.7679 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.63839 9.75219 4.68797 6.06874 8.88938 12.871 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.22361 6.99742 6.36636 7.52321 7.35861 11.8983 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 8.13678 8.29857 14.3851 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.34031 6.11249 5.39812 8.13678 8.29857 11.3217 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.34031 7.86326 8.55482 8.13678 8.29857 13.8474 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.34031 4.74786 3.50984 8.13678 8.29857 5.7836 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 7.281 4.53565 3.65036 8.24402 8.19993 5.82264 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 7.281 8.53722 11.611 8.24402 8.19993 14.3528 numMergedOcc 0
14 mol 48 unq 6 iso 0 dist 7.281 6.15814 5.37655 8.24402 8.19993 11.342 numMergedOcc 0
15 mol 48 unq 7 iso 0 dist 7.281 7.70284 8.48119 8.24402 8.19993 13.6649 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 7.10439 7.78587 7.98468 9.79695 8.87464 14.7633 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 9.63599 9.11491 5.84075 6.49291 9.78384 6.86517 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 9.63599 9.11491 5.84075 11.51 8.87742 14.0221 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 9.63599 9.11491 5.84075 7.82761 4.93468 8.33791 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 7.87237 7.90338 5.25584 5.97134 9.26979 6.2576 numMergedOcc 0
21 mol 79 unq 4 iso 0 dist 7.87237 7.90338 5.25584 9.00783 9.05679 8.96069 numMergedOcc 0
22 mol 79 unq 5 iso 0 dist 7.87237 7.90338 5.25584 4.52595 4.93468 7.56495 numMergedOcc 0
23 mol 79 unq 6 iso 0 dist 7.87237 7.08462 5.79629 5.97134 9.26979 9.11841 numMergedOcc 0
24 mol 79 unq 7 iso 0 dist 7.87237 7.08462 5.79629 9.00783 9.05679 12.5055 numMergedOcc 0
25 mol 79 unq 8 iso 0 dist 7.87237 7.08462 5.79629 4.52595 4.93468 7.63923 numMergedOcc 0
26 mol 79 unq 9 iso 0 dist 8.01743 7.15907 5.41884 6.4154 9.78384 9.21098 numMergedOcc 0
27 mol 79 unq 10 iso 0 dist 8.01743 7.15907 5.41884 11.4135 8.87742 13.2872 numMergedOcc 0
28 mol 79 unq 11 iso 0 dist 8.01743 7.15907 5.41884 4.58851 4.93468 7.38548 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 6.05495 5.61151 5.22259 13.3263 9.66222 9.07499 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.05495 6.54289 7.66499 13.3263 9.66222 10.671 numMergedOcc 0
31 mol 114 unq 0 iso 0 dist 6.13559 8.61909 3.67473 11.1434 8.42878 10.9536 numMergedOcc 0
32 mol 116 unq 0 iso 0 dist 6.49383 6.28029 4.13755 4.94926 8.38606 8.58308 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 4.25566 6.50336 3.80087 7.64948 9.83945 9.59109 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 7.31037 6.50336 3.80763 7.64948 6.75376 9.59109 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 6.05323 8.22067 5.64188 11.9671 8.21184 9.63874 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 6.05323 8.22067 5.64188 8.69711 5.9976 10.5534 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 7.13252 7.61421 13.4378 8.45963 7.32087 14.4143 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.13252 7.61421 13.4378 11.047 8.86197 18.6281 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 7.05653 6.91878 3.63671 9.67649 9.92471 12.4791 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 7.10413 8.49913 9.85068 10.9886 9.78181 11.6437 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.62002 8.71877 12.856 4.38002 5.92374 11.9026 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 5.97993 8.73744 4.14699 7.73342 9.70149 9.25035 numMergedOcc 0
43 mol 250 unq 1 iso 0 dist 6.44252 6.61917 4.14699 5.66455 9.70149 9.25035 numMergedOcc 0
44 mol 256 unq 0 iso 0 dist 9.18903 5.85613 11.141 10.4051 6.37963 13.7698 numMergedOcc 0
45 mol 256 unq 1 iso 0 dist 9.18903 5.85613 11.141 13.9633 6.00636 16.9513 numMergedOcc 0
46 mol 265 unq 0 iso 0 dist 5.40318 5.94614 6.31696 6.88401 8.984 9.57517 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 9.20749 9.85661 6.97575 4.60275 9.16942 8.09181 numMergedOcc 0
