0 mol 5 unq 0 iso 0 dist 7.4332 9.45559 4.84696 10.3223 9.22067 9.16196 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 9.45559 4.84696 7.05332 8.49537 12.7615 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.83083 6.90469 3.3748 4.82016 9.9373 7.83087 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.83083 6.90469 3.3748 10.8001 8.4881 9.37129 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 6.90469 7.83083 3.3748 13.5354 9.97671 11.7194 numMergedOcc 0
5 mol 10 unq 3 iso 0 dist 6.90469 7.83083 3.3748 4.82016 7.83087 9.9373 numMergedOcc 0
6 mol 10 unq 4 iso 0 dist 6.90469 7.83083 3.3748 10.8001 9.37129 8.4881 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 9.74528 9.08736 14.8738 9.67038 5.47299 16.9297 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.85386 4.8983 11.6321 7.87577 7.9575 10.9711 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.85386 4.8983 11.6321 10.5032 5.88827 13.7676 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.51319 8.49887 2.58673 4.74629 8.67342 8.60062 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.51319 8.49887 2.58673 7.39588 5.73739 5.16225 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.49887 7.51319 2.58673 4.74629 8.60062 8.67342 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.49887 7.51319 2.58673 7.39588 5.16225 5.73739 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.55758 7.44027 2.81832 10.4516 8.24402 10.1292 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 7.44027 8.55758 2.81832 4.32128 9.44156 10.7142 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.07315 8.09561 6.01609 9.01449 8.52131 12.1038 numMergedOcc 0
17 mol 160 unq 0 iso 0 dist 9.22874 8.78355 3.21967 8.13485 9.5578 10.3074 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 9.98689 5.93144 15.5252 5.54803 9.54118 10.5701 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 7.29985 8.79752 8.45723 5.94269 9.84239 12.0308 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 7.29985 7.58281 4.47711 5.94269 9.84239 9.1728 numMergedOcc 0
21 mol 176 unq 2 iso 0 dist 7.29985 8.8756 6.34877 5.94269 9.84239 8.0255 numMergedOcc 0
22 mol 176 unq 3 iso 0 dist 7.58281 8.79752 5.3861 5.94269 9.1728 12.0308 numMergedOcc 0
23 mol 176 unq 4 iso 0 dist 7.58281 7.29985 4.47711 5.94269 9.1728 9.84239 numMergedOcc 0
24 mol 176 unq 5 iso 0 dist 7.58281 8.8756 3.47516 5.94269 9.1728 8.0255 numMergedOcc 0
25 mol 176 unq 6 iso 0 dist 8.8756 8.79752 8.21185 5.94269 8.0255 12.0308 numMergedOcc 0
26 mol 176 unq 7 iso 0 dist 8.8756 7.29985 6.34877 5.94269 8.0255 9.84239 numMergedOcc 0
27 mol 176 unq 8 iso 0 dist 8.8756 7.58281 3.47516 5.94269 8.0255 9.1728 numMergedOcc 0
28 mol 207 unq 0 iso 0 dist 8.29754 8.85994 5.27291 9.1418 9.31941 13.6084 numMergedOcc 0
29 mol 207 unq 1 iso 0 dist 5.77532 8.75785 5.27291 5.55728 9.31941 13.6084 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 5.83039 6.74364 2.67738 8.12952 9.672 9.15233 numMergedOcc 0
31 mol 254 unq 1 iso 0 dist 6.74364 5.83039 2.67738 8.12952 9.15233 9.672 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 7.36137 4.95415 3.00605 6.69637 6.39822 5.36518 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 7.36137 4.95415 3.00605 11.9449 8.61077 9.11585 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 6.83784 6.38519 3.00605 5.60874 6.39822 5.36518 numMergedOcc 0
35 mol 266 unq 3 iso 0 dist 6.83784 6.38519 3.00605 5.50447 8.61077 9.11585 numMergedOcc 0
36 mol 266 unq 4 iso 0 dist 4.95415 7.36137 3.00605 6.69637 5.36518 6.39822 numMergedOcc 0
37 mol 266 unq 5 iso 0 dist 4.95415 7.36137 3.00605 11.9449 9.11585 8.61077 numMergedOcc 0
38 mol 266 unq 6 iso 0 dist 6.38519 6.83784 3.00605 5.60874 5.36518 6.39822 numMergedOcc 0
39 mol 266 unq 7 iso 0 dist 6.38519 6.83784 3.00605 5.50447 9.11585 8.61077 numMergedOcc 0
