0 mol 52 unq 0 iso 0 dist 6.08894 9.79797 6.68648 13.4946 13.6018 8.47223 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 6.08894 9.79797 6.68648 13.6638 12.5939 9.75277 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 6.08894 9.79797 6.68648 9.76622 7.70026 8.01537 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 9.02308 9.46119 6.68648 12.2695 13.6018 8.47223 numMergedOcc 0
4 mol 52 unq 4 iso 0 dist 9.02308 9.46119 6.68648 15.3847 12.5939 9.75277 numMergedOcc 0
5 mol 52 unq 5 iso 0 dist 9.02308 9.46119 6.68648 13.0792 7.70026 8.01537 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.36475 5.65006 6.77898 12.5798 16.4532 9.78762 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.45717 8.25027 4.19723 6.30204 8.43069 4.79003 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 9.13451 8.55869 11.2455 7.97354 15.4642 7.29835 numMergedOcc 0
9 mol 135 unq 1 iso 0 dist 9.13451 6.65965 8.50814 7.97354 15.4642 8.08732 numMergedOcc 0
10 mol 135 unq 2 iso 0 dist 9.13451 6.65965 8.50814 12.2181 16.1822 9.13739 numMergedOcc 0
11 mol 135 unq 3 iso 0 dist 9.171 8.55869 5.69612 7.97354 11.8777 7.29835 numMergedOcc 0
12 mol 135 unq 4 iso 0 dist 9.171 6.65965 3.95636 7.97354 11.8777 8.08732 numMergedOcc 0
13 mol 135 unq 5 iso 0 dist 9.171 6.65965 3.95636 12.2181 12.2072 9.13739 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 6.91573 9.64785 4.67662 6.71726 7.15087 5.90339 numMergedOcc 0
15 mol 144 unq 0 iso 0 dist 8.6353 8.85737 8.65006 12.615 9.81485 6.03283 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 8.68992 5.98495 3.65288 9.98671 12.7701 9.38425 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 7.18765 5.65314 9.61454 4.77702 10.0438 6.66653 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 7.41091 5.65314 7.59871 4.77702 11.3038 6.66653 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 6.94983 7.13253 5.42461 7.52857 9.95045 7.53576 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.70852 6.93417 5.8801 8.37146 10.8535 6.95658 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.89728 6.93417 11.8896 8.37146 13.7903 6.95658 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 6.42437 6.93417 5.81576 8.37146 11.7532 6.95658 numMergedOcc 0
