0 mol 28 unq 0 iso 0 dist 8.06843 12.0732 8.02162 12.9616 8.11492 9.27002 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 6.58179 7.01781 8.0388 9.34748 4.09906 8.96223 numMergedOcc 0
2 mol 110 unq 0 iso 0 dist 7.59747 6.69022 9.45247 13.2998 9.59418 8.97683 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 8.14978 13.0903 9.80185 15.4995 16.1482 8.51265 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 8.94352 4.93601 8.62135 7.52211 5.14383 4.95086 numMergedOcc 0
5 mol 147 unq 1 iso 0 dist 8.94352 4.93601 8.62135 9.91041 14.0428 8.39524 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 9.81187 9.74655 7.69241 16.6696 11.5221 7.02608 numMergedOcc 0
7 mol 176 unq 1 iso 0 dist 4.67031 5.74134 7.69241 11.9069 11.5221 7.02608 numMergedOcc 0
8 mol 176 unq 2 iso 0 dist 9.49412 7.74105 7.69241 13.9629 11.5221 7.02608 numMergedOcc 0
9 mol 176 unq 3 iso 0 dist 8.98043 5.74134 7.77962 11.9069 10.9534 7.02608 numMergedOcc 0
10 mol 176 unq 4 iso 0 dist 8.77405 9.74655 8.6431 16.6696 12.9083 7.02608 numMergedOcc 0
11 mol 176 unq 5 iso 0 dist 6.8243 5.74134 8.6431 11.9069 12.9083 7.02608 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 5.86468 13.0222 8.98606 13.8657 10.5517 5.13722 numMergedOcc 0
13 mol 199 unq 0 iso 0 dist 9.72197 14.5282 9.2815 15.7964 6.58405 7.29716 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 5.90026 11.6202 6.81437 15.02 9.28886 8.84278 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 8.86496 14.5892 6.81437 15.5357 9.28886 8.84278 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 7.45508 11.0598 7.01673 13.0707 7.54838 7.31087 numMergedOcc 0
17 mol 255 unq 0 iso 0 dist 8.66655 4.80227 8.32084 8.17286 5.09111 6.61193 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 4.98907 9.47962 9.33223 7.96325 4.2886 8.34471 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.32853 5.69575 8.23254 10.662 10.2664 9.94705 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.50155 6.00086 9.98309 9.4945 4.88613 7.98871 numMergedOcc 0
