0 mol 58 unq 0 iso 0 dist 8.96181 5.52874 7.4785 9.02602 6.39747 5.47421 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 8.96181 9.02602 6.39747 5.52874 7.4785 5.47421 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 8.21116 12.3909 5.85237 17.1393 9.11768 8.44575 numMergedOcc 0
3 mol 85 unq 0 iso 1 dist 8.21116 17.1393 9.11768 12.3909 5.85237 8.44575 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.43098 9.86323 6.65615 5.3018 5.07548 5.57085 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 5.43098 5.3018 5.07548 9.86323 6.65615 5.57085 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.66313 4.93421 4.80684 9.5414 7.60162 8.61848 numMergedOcc 0
7 mol 119 unq 0 iso 1 dist 6.66313 9.5414 7.60162 4.93421 4.80684 8.61848 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.3646 7.79347 4.80684 6.77381 7.60162 8.61848 numMergedOcc 0
9 mol 119 unq 1 iso 1 dist 6.3646 6.77381 7.60162 7.79347 4.80684 8.61848 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.3776 12.8882 7.59457 16.0649 9.00072 5.42328 numMergedOcc 0
11 mol 152 unq 0 iso 1 dist 9.3776 16.0649 9.00072 12.8882 7.59457 5.42328 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.3776 12.8882 7.59457 10.6678 7.55419 5.54906 numMergedOcc 0
13 mol 152 unq 1 iso 1 dist 9.3776 10.6678 7.55419 12.8882 7.59457 5.54906 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.3776 16.0649 9.00072 10.6678 7.55419 6.4896 numMergedOcc 0
15 mol 152 unq 1 iso 1 dist 9.3776 10.6678 7.55419 16.0649 9.00072 6.4896 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 6.6747 11.1132 9.38984 14.0553 9.91118 4.85934 numMergedOcc 0
17 mol 194 unq 0 iso 1 dist 6.6747 14.0553 9.91118 11.1132 9.38984 4.85934 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.28412 7.69242 9.38984 5.16091 9.91118 4.85934 numMergedOcc 0
19 mol 194 unq 1 iso 1 dist 6.28412 5.16091 9.91118 7.69242 9.38984 4.85934 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 7.9475 10.9904 7.79063 10.4923 9.64778 5.55137 numMergedOcc 0
21 mol 248 unq 0 iso 1 dist 7.9475 10.4923 9.64778 10.9904 7.79063 5.55137 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.34984 5.34337 9.19385 11.9048 9.1927 8.02948 numMergedOcc 0
23 mol 253 unq 0 iso 1 dist 8.34984 11.9048 9.1927 5.34337 9.19385 8.02948 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.95095 7.6323 6.76495 6.30874 5.4557 5.55477 numMergedOcc 0
25 mol 258 unq 0 iso 1 dist 8.95095 6.30874 5.4557 7.6323 6.76495 5.55477 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.34927 6.29035 9.54359 4.83355 5.69112 5.59609 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 7.34927 4.83355 5.69112 6.29035 9.54359 5.59609 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 7.54315 15.7541 9.54359 11.2857 5.69112 5.59609 numMergedOcc 0
29 mol 277 unq 1 iso 1 dist 7.54315 11.2857 5.69112 15.7541 9.54359 5.59609 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 8.71708 11.9557 5.35705 7.70278 6.64378 5.74345 numMergedOcc 0
31 mol 278 unq 0 iso 1 dist 8.71708 7.70278 6.64378 11.9557 5.35705 5.74345 numMergedOcc 0
