0 mol 64 unq 0 iso 0 dist 8.00221 5.04832 7.03264 14.5769 11.1294 9.82294 numMergedOcc 0
1 mol 175 unq 0 iso 0 dist 8.12739 4.9282 5.25888 12.1084 7.44933 8.57666 numMergedOcc 0
2 mol 183 unq 0 iso 0 dist 9.11445 4.54716 6.0033 8.52251 4.79561 7.67623 numMergedOcc 0
3 mol 183 unq 1 iso 0 dist 9.11445 4.54716 6.0033 10.2812 5.24909 7.99897 numMergedOcc 0
4 mol 183 unq 2 iso 0 dist 9.11445 4.54716 6.0033 12.0634 5.7389 7.58913 numMergedOcc 0
5 mol 183 unq 3 iso 0 dist 9.11445 9.73799 9.01322 12.0634 5.7389 6.0782 numMergedOcc 0
6 mol 205 unq 0 iso 0 dist 7.9678 11.4325 8.03534 18.504 11.8687 9.44038 numMergedOcc 0
7 mol 233 unq 0 iso 0 dist 8.31695 4.61365 8.63219 9.49046 9.75072 8.01777 numMergedOcc 0
8 mol 241 unq 0 iso 0 dist 7.62827 5.2107 8.86734 10.3467 5.26418 9.55645 numMergedOcc 0
9 mol 247 unq 0 iso 0 dist 8.81684 5.35312 7.03974 8.28575 8.96314 9.23297 numMergedOcc 0
10 mol 247 unq 1 iso 0 dist 9.69819 13.9188 6.32156 12.9118 9.83927 9.21409 numMergedOcc 0
11 mol 247 unq 2 iso 0 dist 9.69819 13.9188 6.32156 12.0542 5.40081 9.17812 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 8.13376 14.6808 9.06386 6.83706 4.77489 8.93518 numMergedOcc 0
13 mol 265 unq 0 iso 0 dist 5.14122 11.3503 9.74602 16.0115 12.963 8.5774 numMergedOcc 0
14 mol 265 unq 1 iso 0 dist 5.14122 11.3503 9.74602 6.98451 4.86847 9.94957 numMergedOcc 0
15 mol 265 unq 2 iso 0 dist 5.14122 11.3503 9.74602 11.4573 9.6804 8.01664 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 6.55208 5.53565 7.96955 8.00278 4.0473 7.3055 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 7.17562 4.19938 7.96955 6.13722 4.0473 7.3055 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.78656 5.05806 8.05825 7.90634 7.51649 7.3388 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.78656 5.05806 8.05825 7.90634 7.51649 7.3388 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.78656 5.05806 8.05825 7.90634 7.51649 7.3388 numMergedOcc 0
