0 mol 10 unq 0 iso 0 dist 9.03951 11.8048 9.39017 6.61479 5.59965 12.4032 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.88546 12.1014 8.37378 12.7322 6.03257 7.11548 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.78918 11.2244 7.8304 10.8117 7.25951 4.47542 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 6.80314 11.2244 5.74567 10.8117 7.92012 4.47542 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.8962 11.8577 9.52206 8.41572 8.89417 7.00155 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.8962 11.8577 9.52206 5.74733 9.95255 9.45154 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 7.8962 10.4516 8.69945 8.41572 8.89417 14.3423 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.8962 10.4516 8.69945 5.74733 9.95255 8.76259 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 4.86767 9.50189 8.55826 6.72133 8.42878 5.78064 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.92221 6.80479 8.3971 11.1384 8.38606 10.5909 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 7.92221 6.42183 6.74026 11.1384 8.38606 6.2875 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 7.00113 11.663 9.94322 6.22139 6.11502 6.67445 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 7.00113 9.39493 8.35871 6.22139 6.11502 8.12341 numMergedOcc 0
13 mol 125 unq 2 iso 0 dist 9.85979 12.7481 8.74577 6.22139 6.33431 6.58625 numMergedOcc 0
14 mol 125 unq 3 iso 0 dist 9.85979 11.663 9.7728 6.22139 6.33431 6.67445 numMergedOcc 0
15 mol 125 unq 4 iso 0 dist 9.85979 9.39493 6.75122 6.22139 6.33431 8.12341 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.4751 6.01258 8.29782 5.72737 7.22518 4.71612 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 6.4751 6.01258 8.29782 6.4423 5.25109 5.66419 numMergedOcc 0
18 mol 171 unq 2 iso 0 dist 5.75085 8.73818 7.61144 5.72737 7.58499 7.486 numMergedOcc 0
19 mol 171 unq 3 iso 0 dist 5.75085 8.73818 7.61144 6.4423 8.21618 13.5731 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.33514 5.9596 5.75839 15.6069 9.73541 9.70769 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 6.29945 7.01958 8.54404 5.44215 8.45756 5.07285 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.77259 6.69637 9.34312 9.63118 7.00243 14.8724 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 6.77259 9.91179 7.53905 9.63118 7.00243 5.01805 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 5.75889 5.20921 6.85471 6.38496 5.92274 4.17949 numMergedOcc 0
25 mol 271 unq 1 iso 0 dist 7.03848 6.59541 6.85471 9.47905 5.92274 4.17949 numMergedOcc 0
