0 mol 33 unq 0 iso 0 dist 5.2746 4.77227 7.26522 7.03174 5.73522 6.64845 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.11686 4.80731 7.40997 12.1803 4.53455 8.76844 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 12.282 7.03635 19.9552 13.912 8.15885 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 6.78356 12.282 7.03635 17.7855 12.0116 7.43523 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.96576 7.86188 6.25529 12.5012 8.0249 9.71134 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.55766 7.86188 9.74248 12.5012 4.34173 9.71134 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 6.31314 6.12711 7.00443 8.9675 3.44683 9.2828 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.27428 14.4249 7.89418 10.8467 4.78621 5.61752 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.74308 10.6036 6.13396 7.62128 3.84531 4.95355 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 9.05206 12.1997 5.6524 5.86875 5.64437 6.93215 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.3439 10.8016 7.4083 9.92712 5.75214 7.01486 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 9.3439 4.07704 8.24411 9.92712 5.75214 8.86569 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.29649 7.94 7.07461 15.9542 16.8277 9.90442 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 9.30056 6.7559 9.28676 6.40555 7.15087 8.46413 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 8.54084 11.0725 7.30709 8.99274 4.933 7.8339 numMergedOcc 0
15 mol 268 unq 0 iso 0 dist 8.28346 6.83253 9.7571 12.654 10.2202 8.38444 numMergedOcc 0
16 mol 268 unq 1 iso 0 dist 8.28346 6.83253 9.7571 12.5137 10.4266 7.30388 numMergedOcc 0
17 mol 268 unq 2 iso 0 dist 8.28346 6.15589 8.87745 15.6738 15.0736 9.54291 numMergedOcc 0
