0 mol 11 unq 0 iso 0 dist 5.27762 9.76834 5.61815 5.99293 8.06254 13.5144 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.08801 9.74209 5.74056 6.08445 8.12184 13.7413 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.73484 6.87567 10.0003 11.4812 9.63181 16.8291 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 7.57797 8.91798 13.1182 5.60515 6.75307 12.6698 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.57797 8.91798 13.1182 12.5987 7.24775 15.4291 numMergedOcc 0
5 mol 27 unq 2 iso 0 dist 7.57797 8.54422 10.3311 5.60515 6.75307 10.4231 numMergedOcc 0
6 mol 27 unq 3 iso 0 dist 7.57797 8.54422 10.3311 12.5987 7.24775 11.0967 numMergedOcc 0
7 mol 27 unq 4 iso 0 dist 6.94532 8.67055 14.3382 5.84177 6.75307 12.1949 numMergedOcc 0
8 mol 27 unq 5 iso 0 dist 6.94532 8.67055 14.3382 6.25033 7.24775 14.1836 numMergedOcc 0
9 mol 27 unq 6 iso 0 dist 6.94532 6.25236 10.3311 5.84177 6.75307 10.4231 numMergedOcc 0
10 mol 27 unq 7 iso 0 dist 6.94532 6.25236 10.3311 6.25033 7.24775 11.0967 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 6.83169 9.56049 13.7431 11.4378 6.07433 18.0791 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 8.92911 9.56049 13.3916 11.4378 7.01146 18.0791 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 7.8627 9.56049 5.22234 7.7133 9.42195 13.9609 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 5.09936 6.16537 6.21393 12.2478 9.61913 15.6842 numMergedOcc 0
15 mol 103 unq 1 iso 0 dist 5.09936 9.77978 10.6064 12.2478 9.61913 15.7614 numMergedOcc 0
16 mol 103 unq 2 iso 0 dist 5.09936 8.60361 9.94529 9.41836 6.87901 13.2497 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.43061 6.52227 9.12635 12.0778 9.14007 16.415 numMergedOcc 0
18 mol 153 unq 0 iso 0 dist 6.81821 8.30572 7.21701 7.49598 6.36853 12.7635 numMergedOcc 0
19 mol 153 unq 1 iso 0 dist 6.81821 8.30572 7.21701 7.74047 5.87327 10.0692 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 5.78397 8.01303 12.4324 10.2539 7.93807 15.1236 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 9.86758 8.9108 4.48341 6.96288 9.63679 11.7086 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 8.17498 5.67616 10.9328 6.76786 8.53661 12.395 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.38575 8.31953 12.5117 3.5882 5.79682 10.9277 numMergedOcc 0
