0 mol 17 unq 0 iso 0 dist 6.53817 9.81769 5.14154 8.6745 8.25879 10.9688 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.81769 6.53817 5.14154 8.6745 10.9688 8.25879 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 9.899 13.4227 4.70856 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 7.02352 9.10915 9.21892 9.899 4.70856 13.4227 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 7.9572 8.64208 7.99329 6.44825 9.25732 13.625 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 8.64208 7.9572 7.99329 6.44825 13.625 9.25732 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.21553 8.22762 7.16971 7.50921 10.9021 5.93189 numMergedOcc 0
7 mol 71 unq 0 iso 1 dist 8.22762 8.21553 7.16971 7.50921 5.93189 10.9021 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.93552 8.35604 10.2788 9.03339 9.38943 5.64974 numMergedOcc 0
9 mol 115 unq 0 iso 1 dist 8.35604 8.93552 10.2788 9.03339 5.64974 9.38943 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.41832 5.44596 6.43459 8.4449 6.29124 5.65439 numMergedOcc 0
11 mol 140 unq 0 iso 1 dist 5.44596 9.41832 6.43459 8.4449 5.65439 6.29124 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.41832 9.69069 8.90548 8.4449 6.29124 5.62569 numMergedOcc 0
13 mol 140 unq 1 iso 1 dist 9.69069 9.41832 8.90548 8.4449 5.62569 6.29124 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 5.44596 9.69069 9.87462 8.4449 5.65439 5.62569 numMergedOcc 0
15 mol 140 unq 1 iso 1 dist 9.69069 5.44596 9.87462 8.4449 5.62569 5.65439 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 8.34161 6.95381 5.21142 4.89503 5.43727 6.05886 numMergedOcc 0
17 mol 158 unq 0 iso 1 dist 6.95381 8.34161 5.21142 4.89503 6.05886 5.43727 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 8.3704 11.3569 4.78402 numMergedOcc 0
19 mol 219 unq 0 iso 1 dist 7.24832 8.09769 7.02195 8.3704 4.78402 11.3569 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 7.30244 7.29796 6.89336 8.63649 14.9028 14.1071 numMergedOcc 0
21 mol 220 unq 0 iso 1 dist 7.29796 7.30244 6.89336 8.63649 14.1071 14.9028 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 7.5808 9.46742 5.30405 numMergedOcc 0
23 mol 223 unq 0 iso 1 dist 7.34316 9.94212 12.3422 7.5808 5.30405 9.46742 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 8.56954 9.23938 5.53477 9.3974 12.7772 8.67903 numMergedOcc 0
25 mol 230 unq 0 iso 1 dist 9.23938 8.56954 5.53477 9.3974 8.67903 12.7772 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.67877 8.81059 17.2075 9.6327 6.95359 13.987 numMergedOcc 0
27 mol 258 unq 0 iso 1 dist 8.81059 9.67877 17.2075 9.6327 13.987 6.95359 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 9.67877 9.12006 18.4031 9.6327 6.95359 15.8856 numMergedOcc 0
29 mol 258 unq 1 iso 1 dist 9.12006 9.67877 18.4031 9.6327 15.8856 6.95359 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.81059 9.12006 5.30627 9.6327 13.987 15.8856 numMergedOcc 0
31 mol 258 unq 1 iso 1 dist 9.12006 8.81059 5.30627 9.6327 15.8856 13.987 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 9.84188 8.35794 5.59609 9.91103 19.0436 17.6038 numMergedOcc 0
33 mol 277 unq 0 iso 1 dist 8.35794 9.84188 5.59609 9.91103 17.6038 19.0436 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.84188 8.35794 5.59609 7.0603 15.7645 14.772 numMergedOcc 0
35 mol 277 unq 1 iso 1 dist 8.35794 9.84188 5.59609 7.0603 14.772 15.7645 numMergedOcc 0
