0 mol 32 unq 0 iso 0 dist 7.59933 8.88829 10.0517 5.91961 11.3029 8.68559 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 5.97144 7.09258 6.12361 6.65814 10.8529 9.02278 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 6.18717 7.09258 5.43672 6.65814 10.396 9.02278 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.98702 6.61066 12.4408 10.3807 17.1159 6.50039 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 8.49634 10.1792 6.91348 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 8.91629 6.44766 5.29825 5.0492 13.4104 9.51418 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 8.82137 9.72828 9.29369 6.76195 9.13913 6.98095 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 6.99973 5.07968 6.81956 6.32132 12.8347 7.61951 numMergedOcc 0
8 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 4.95108 12.177 6.82208 numMergedOcc 0
9 mol 228 unq 0 iso 0 dist 9.79674 9.51602 6.03966 5.55391 8.04854 7.65132 numMergedOcc 0
10 mol 228 unq 1 iso 0 dist 9.82472 9.46214 6.25423 5.86537 8.08612 7.94506 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 9.23318 9.39439 6.30265 6.99665 13.1943 9.43203 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 8.70264 8.58958 7.01488 6.99882 11.499 6.25105 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 8.70264 7.17987 7.54044 5.04225 13.0795 9.5707 numMergedOcc 0
14 mol 234 unq 2 iso 0 dist 8.70264 7.17987 7.54044 6.99882 11.499 7.85175 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.8444 9.94587 5.33697 12.3467 12.075 6.91569 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.73405 9.94587 17.5803 12.3467 19.9638 6.91569 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.0779 5.40961 10.0113 11.018 16.8424 6.83797 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 8.67571 5.57621 10.0597 8.63376 13.444 6.83797 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 5.16952 6.97104 6.33662 9.95978 13.3054 8.76347 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 5.04414 8.63281 6.33662 12.5917 13.3054 8.76347 numMergedOcc 0
