0 mol 19 unq 0 iso 0 dist 9.82581 7.19503 9.50382 14.2789 8.6541 8.76559 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.53459 5.83259 6.79881 13.847 6.01538 9.89535 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.77199 5.91098 9.30367 11.399 15.0918 6.67079 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.37476 6.28936 5.92936 14.6635 11.6681 8.4438 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.9205 10.647 7.47653 17.5264 13.2888 7.9663 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 9.9205 10.647 7.47653 14.4723 8.39466 6.54338 numMergedOcc 0
6 mol 130 unq 2 iso 0 dist 9.9205 13.6393 8.97124 14.4723 8.39466 9.39135 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.86673 13.6535 9.45817 17.3118 11.2035 6.43585 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 8.9867 8.26458 6.43585 16.0843 11.2035 9.45817 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 8.51507 4.92782 5.11059 11.6023 8.91303 7.04604 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 4.4558 4.56997 5.69763 12.6871 10.7204 8.82165 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 6.35646 5.01938 4.61671 5.59354 6.98423 8.44004 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 5.59354 5.01938 8.44004 6.35646 6.98423 4.61671 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.66105 10.0531 8.5434 14.5099 8.73567 9.17355 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.70552 5.28769 8.5434 13.7037 8.73567 9.17355 numMergedOcc 0
15 mol 245 unq 0 iso 0 dist 5.70624 11.4898 6.41862 14.0244 9.57831 9.85927 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 15.0606 5.25969 8.73077 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.78501 12.4808 8.12204 13.7111 13.1611 6.58277 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.78501 12.4808 8.12204 19.5279 16.4476 8.42706 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 7.47103 5.35253 8.63954 13.2122 14.0446 7.97209 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 4.9851 10.4106 9.3482 9.89731 7.91838 8.08495 numMergedOcc 0
