0 mol 9 unq 0 iso 0 dist 9.8978 5.16141 6.26276 11.3797 9.62394 11.7623 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.26276 5.16141 9.8978 11.7623 9.62394 11.3797 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 5.66743 7.13229 7.42669 9.49066 9.52474 4.91484 numMergedOcc 0
3 mol 27 unq 0 iso 1 dist 7.42669 7.13229 5.66743 4.91484 9.52474 9.49066 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.48774 12.2543 9.53055 11.1132 6.60933 6.78736 numMergedOcc 0
5 mol 109 unq 0 iso 1 dist 9.53055 12.2543 8.48774 6.78736 6.60933 11.1132 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.37302 8.68982 8.03783 14.0364 9.66219 16.3524 numMergedOcc 0
7 mol 113 unq 0 iso 1 dist 8.03783 8.68982 5.37302 16.3524 9.66219 14.0364 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 5.37302 11.0841 8.47541 14.0364 9.66219 12.1308 numMergedOcc 0
9 mol 113 unq 1 iso 1 dist 8.47541 11.0841 5.37302 12.1308 9.66219 14.0364 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.03783 7.68339 8.47541 16.3524 9.66219 12.1308 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 8.47541 7.68339 8.03783 12.1308 9.66219 16.3524 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.16862 3.75263 9.70325 12.7925 9.22232 15.4258 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 9.70325 3.75263 6.16862 15.4258 9.22232 12.7925 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.04845 7.3347 7.94325 14.5617 6.16242 11.4104 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 7.94325 7.3347 9.04845 11.4104 6.16242 14.5617 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.04845 7.3347 7.94325 13.7612 5.87634 12.9605 numMergedOcc 0
17 mol 133 unq 2 iso 1 dist 7.94325 7.3347 9.04845 12.9605 5.87634 13.7612 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 9.04845 12.3753 6.72323 14.5617 6.16242 10.2385 numMergedOcc 0
19 mol 133 unq 3 iso 1 dist 6.72323 12.3753 9.04845 10.2385 6.16242 14.5617 numMergedOcc 0
20 mol 133 unq 4 iso 0 dist 9.04845 12.3753 6.72323 13.7612 5.87634 4.64588 numMergedOcc 0
21 mol 133 unq 4 iso 1 dist 6.72323 12.3753 9.04845 4.64588 5.87634 13.7612 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 7.94325 14.0664 6.72323 11.4104 6.16242 10.2385 numMergedOcc 0
23 mol 133 unq 3 iso 1 dist 6.72323 14.0664 7.94325 10.2385 6.16242 11.4104 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 7.94325 14.0664 6.72323 12.9605 5.87634 4.64588 numMergedOcc 0
25 mol 133 unq 4 iso 1 dist 6.72323 14.0664 7.94325 4.64588 5.87634 12.9605 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.78469 9.03348 8.01453 6.4437 9.87644 5.91683 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 8.01453 9.03348 6.78469 5.91683 9.87644 6.4437 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 5.66363 4.09371 5.97968 9.47799 8.90963 9.09989 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 5.97968 4.09371 5.66363 9.09989 8.90963 9.47799 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.66363 10.0342 8.50382 9.47799 8.90963 12.4243 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 8.50382 10.0342 5.66363 12.4243 8.90963 9.47799 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 5.66363 7.37799 8.63119 9.47799 8.90963 4.98009 numMergedOcc 0
33 mol 181 unq 2 iso 1 dist 8.63119 7.37799 5.66363 4.98009 8.90963 9.47799 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 5.97968 6.3591 8.50382 9.09989 8.90963 12.4243 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 8.50382 6.3591 5.97968 12.4243 8.90963 9.09989 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 5.97968 5.54834 8.63119 9.09989 8.90963 4.98009 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 8.63119 5.54834 5.97968 4.98009 8.90963 9.09989 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 8.50382 9.33658 8.63119 12.4243 8.90963 4.98009 numMergedOcc 0
39 mol 181 unq 2 iso 1 dist 8.63119 9.33658 8.50382 4.98009 8.90963 12.4243 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 7.40027 4.66266 9.69601 5.29309 6.92924 4.57437 numMergedOcc 0
41 mol 197 unq 0 iso 1 dist 9.69601 4.66266 7.40027 4.57437 6.92924 5.29309 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 5.86419 5.80929 7.23557 4.78067 4.8668 4.2475 numMergedOcc 0
43 mol 205 unq 0 iso 1 dist 7.23557 5.80929 5.86419 4.2475 4.8668 4.78067 numMergedOcc 0
44 mol 205 unq 1 iso 0 dist 5.86419 9.66755 8.86587 4.78067 4.8668 6.8901 numMergedOcc 0
45 mol 205 unq 1 iso 1 dist 8.86587 9.66755 5.86419 6.8901 4.8668 4.78067 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 7.23557 4.20051 8.86587 4.2475 4.8668 6.8901 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 8.86587 4.20051 7.23557 6.8901 4.8668 4.2475 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 7.81769 4.00983 7.66694 8.78003 7.48463 5.33327 numMergedOcc 0
49 mol 223 unq 0 iso 1 dist 7.66694 4.00983 7.81769 5.33327 7.48463 8.78003 numMergedOcc 0
50 mol 244 unq 0 iso 0 dist 8.08939 6.37954 7.33574 11.6777 5.50492 7.45211 numMergedOcc 0
51 mol 244 unq 0 iso 1 dist 7.33574 6.37954 8.08939 7.45211 5.50492 11.6777 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 9.11072 5.41461 9.02071 9.85454 9.85289 5.9882 numMergedOcc 0
53 mol 274 unq 0 iso 1 dist 9.02071 5.41461 9.11072 5.9882 9.85289 9.85454 numMergedOcc 0
