0 mol 18 unq 0 iso 0 dist 9.4649 6.45965 13.0377 8.95573 10.3579 5.867 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.45965 9.4649 13.0377 8.95573 5.867 10.3579 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.90242 9.07029 4.02057 5.97065 5.88467 6.66387 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.07029 9.90242 4.02057 5.97065 6.66387 5.88467 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 5.20647 5.83051 4.93841 7.12852 9.73258 6.46914 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 5.83051 5.20647 4.93841 7.12852 6.46914 9.73258 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 5.32407 6.53102 3.81436 8.52627 8.17675 5.82516 numMergedOcc 0
7 mol 33 unq 0 iso 1 dist 6.53102 5.32407 3.81436 8.52627 5.82516 8.17675 numMergedOcc 0
8 mol 33 unq 1 iso 0 dist 5.32407 7.76575 4.59375 8.52627 8.17675 4.87306 numMergedOcc 0
9 mol 33 unq 1 iso 1 dist 7.76575 5.32407 4.59375 8.52627 4.87306 8.17675 numMergedOcc 0
10 mol 33 unq 2 iso 0 dist 5.32407 9.74394 8.78909 8.52627 8.17675 7.1347 numMergedOcc 0
11 mol 33 unq 2 iso 1 dist 9.74394 5.32407 8.78909 8.52627 7.1347 8.17675 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 6.53102 7.76575 3.8653 8.52627 5.82516 4.87306 numMergedOcc 0
13 mol 33 unq 1 iso 1 dist 7.76575 6.53102 3.8653 8.52627 4.87306 5.82516 numMergedOcc 0
14 mol 33 unq 2 iso 0 dist 6.53102 9.74394 9.45612 8.52627 5.82516 7.1347 numMergedOcc 0
15 mol 33 unq 2 iso 1 dist 9.74394 6.53102 9.45612 8.52627 7.1347 5.82516 numMergedOcc 0
16 mol 33 unq 2 iso 0 dist 7.76575 9.74394 6.05212 8.52627 4.87306 7.1347 numMergedOcc 0
17 mol 33 unq 2 iso 1 dist 9.74394 7.76575 6.05212 8.52627 7.1347 4.87306 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.11556 6.15185 4.01481 9.9443 7.62048 8.44086 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 6.15185 7.11556 4.01481 9.9443 8.44086 7.62048 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.47476 6.74947 15.1471 9.55297 5.65619 15.8344 numMergedOcc 0
21 mol 141 unq 0 iso 1 dist 6.74947 8.47476 15.1471 9.55297 15.8344 5.65619 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 8.47476 6.74947 15.1471 7.447 14.1869 5.25586 numMergedOcc 0
23 mol 141 unq 1 iso 1 dist 6.74947 8.47476 15.1471 7.447 5.25586 14.1869 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 8.47476 6.74947 15.1471 6.59782 8.66026 10.1908 numMergedOcc 0
25 mol 141 unq 2 iso 1 dist 6.74947 8.47476 15.1471 6.59782 10.1908 8.66026 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.08229 7.99057 10.2212 9.4422 10.9873 12.2296 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 7.99057 9.08229 10.2212 9.4422 12.2296 10.9873 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.32064 5.29176 3.78668 8.87757 7.23312 7.96412 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 5.29176 6.32064 3.78668 8.87757 7.96412 7.23312 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.39546 4.17978 6.49745 5.13604 4.8744 3.90017 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 4.17978 9.39546 6.49745 5.13604 3.90017 4.8744 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 6.67272 9.45332 6.89 9.51038 4.91346 11.4807 numMergedOcc 0
33 mol 226 unq 0 iso 1 dist 9.45332 6.67272 6.89 9.51038 11.4807 4.91346 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 8.36772 8.83541 9.80429 5.34745 8.95188 5.19341 numMergedOcc 0
35 mol 233 unq 0 iso 1 dist 8.83541 8.36772 9.80429 5.34745 5.19341 8.95188 numMergedOcc 0
36 mol 233 unq 1 iso 0 dist 8.36772 7.55878 8.84841 5.34745 8.95188 5.3674 numMergedOcc 0
37 mol 233 unq 1 iso 1 dist 7.55878 8.36772 8.84841 5.34745 5.3674 8.95188 numMergedOcc 0
38 mol 233 unq 1 iso 0 dist 8.83541 7.55878 9.74377 5.34745 5.19341 5.3674 numMergedOcc 0
39 mol 233 unq 1 iso 1 dist 7.55878 8.83541 9.74377 5.34745 5.3674 5.19341 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.91126 9.48967 13.6805 6.43838 5.85485 15.6099 numMergedOcc 0
41 mol 235 unq 0 iso 1 dist 9.48967 6.91126 13.6805 6.43838 15.6099 5.85485 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 6.91126 9.48967 13.6805 9.24964 14.9183 4.28284 numMergedOcc 0
43 mol 235 unq 1 iso 1 dist 9.48967 6.91126 13.6805 9.24964 4.28284 14.9183 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 6.58667 6.01542 10.4877 9.28545 13.5948 4.29127 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 6.01542 6.58667 10.4877 9.28545 4.29127 13.5948 numMergedOcc 0
