0 mol 19 unq 0 iso 0 dist 9.82581 7.19503 9.50382 15.7716 11.8354 9.69454 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.73869 10.7288 8.28883 13.0595 5.72813 7.54318 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.53459 5.83259 6.79881 10.615 5.92411 5.94778 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.99483 9.98121 5.44539 13.15 6.33921 5.38191 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.37476 6.28936 5.92936 8.85981 7.52996 9.28253 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.26301 12.5962 5.31281 7.91231 7.65733 7.25166 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 9.26301 12.5962 5.31281 11.1736 5.24877 8.42445 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.2929 5.93926 7.67341 6.3982 5.3967 6.7225 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.83241 8.10347 7.07421 9.54663 4.80675 6.29026 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 7.67974 6.16006 8.94671 7.21035 4.85077 7.86625 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 4.4558 4.56997 5.69763 13.3069 11.4562 9.48439 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 8.63677 14.0337 9.8921 13.8324 11.3877 8.63308 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 8.67902 13.4896 9.81136 20.1792 17.404 8.49704 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.66105 10.0531 8.5434 6.9028 8.22716 8.48112 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.70552 5.28769 8.5434 9.99923 8.22716 8.48112 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 9.64006 16.6231 7.86207 18.1733 10.6943 9.8711 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 6.67907 5.52669 9.10613 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.04478 5.16822 6.00654 11.8169 10.1196 9.37996 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 11.7866 7.93809 9.72526 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 8.21137 7.6558 6.18866 10.1217 6.28944 5.78121 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 8.21137 7.6558 6.18866 13.7192 12.5843 7.29898 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 8.21137 11.1949 9.3807 13.7192 12.5843 8.91685 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.27225 4.49451 8.97411 8.14812 4.6881 5.73296 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 13.2261 10.908 6.77279 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.98041 11.5702 6.76656 11.283 12.7595 9.58006 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.60879 9.93994 6.23539 15.2802 6.13402 8.57532 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.60879 9.93994 6.23539 12.4435 6.16829 9.02914 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.60879 9.93994 6.23539 6.86014 7.44724 6.90434 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 7.47103 4.91258 4.74716 10.6145 5.93692 8.71213 numMergedOcc 0
