0 mol 34 unq 0 iso 0 dist 7.16143 11.2958 9.99145 11.4087 6.75665 9.41098 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 7.55854 7.76629 8.24402 7.49235 4.85981 6.67678 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 7.55854 3.83191 7.14241 7.49235 4.85981 8.28591 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 7.55854 3.83191 7.14241 7.19431 4.03764 5.35008 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 7.55854 3.83191 7.14241 10.2361 14.2411 8.30921 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 8.57243 9.97778 9.98554 12.4769 5.47558 9.44964 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 8.77324 5.73931 6.27378 12.8818 7.58935 8.6961 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 8.40125 5.856 7.52751 11.4586 5.2973 8.07678 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 5.82681 6.7472 8.35588 8.9388 11.3012 7.36794 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 5.82681 6.7472 8.35588 11.1116 11.3698 5.81881 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 7.77216 9.34378 9.00084 5.06367 6.90307 6.94187 numMergedOcc 0
11 mol 193 unq 1 iso 0 dist 8.31368 9.53374 9.00084 11.072 6.90307 6.94187 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.23304 4.64892 9.99638 11.0981 4.54951 9.79673 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 9.85333 5.31235 7.97911 6.0751 7.87864 8.4338 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 5.27218 3.68745 4.44509 6.95744 4.08014 7.97504 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 8.88803 9.96926 4.76164 18.614 14.0954 9.73217 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 8.88803 9.96926 4.76164 6.19564 4.58993 7.49606 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 8.88803 9.96926 4.76164 10.7782 3.69763 8.06377 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 5.1936 4.69872 5.44942 11.1329 6.71401 8.32982 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.1936 4.69872 5.44942 11.1329 6.71401 8.32982 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 5.1936 4.69872 5.44942 11.1329 6.71401 8.32982 numMergedOcc 0
