0 mol 41 unq 0 iso 0 dist 8.45063 6.51139 14.3405 10.8697 17.447 6.75602 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 6.95983 10.5349 8.84944 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.44077 9.76585 8.43173 11.3999 11.0067 7.21995 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.71467 8.6338 7.92278 10.0633 13.5982 8.8795 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.21809 7.00234 6.99469 5.57378 11.4022 7.03224 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 5.69055 7.30652 6.99469 10.3741 11.4022 7.03224 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.1375 8.75165 6.4251 7.3651 5.24823 6.79959 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.67429 9.62357 6.42183 15.1223 12.3821 6.61973 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.21476 5.47265 9.82809 7.75436 14.294 5.32865 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 9.8446 9.63241 5.54803 7.28318 9.13163 5.99596 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 10.4645 9.77407 7.03107 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.7013 8.57666 4.40729 6.623 9.30469 7.30813 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.31333 6.36789 3.82682 12.6035 9.80138 6.72718 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.5942 9.03261 4.1635 9.96567 10.1937 8.74399 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 11.094 12.5445 4.71683 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 10.1932 16.9442 7.53199 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 9.17911 5.9223 14.8337 9.26732 13.4359 8.58092 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 9.17911 5.9223 14.8337 6.72414 11.6245 7.40014 numMergedOcc 0
18 mol 271 unq 0 iso 0 dist 7.29764 6.96986 5.25426 12.846 14.47 9.50884 numMergedOcc 0
19 mol 293 unq 0 iso 0 dist 7.67909 8.04021 5.48105 6.89397 12.5645 9.65156 numMergedOcc 0
20 mol 293 unq 1 iso 0 dist 6.83404 8.04021 4.88851 6.89397 9.15753 9.65156 numMergedOcc 0
