0 mol 38 unq 0 iso 0 dist 7.96306 5.47531 5.86972 14.3218 8.40505 9.94799 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 13.9046 6.05149 8.71103 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 8.44207 6.9006 6.81741 8.81282 6.02095 5.33644 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.8067 8.14333 5.61016 13.1405 6.46237 6.97361 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 8.1375 5.42278 7.57822 12.2233 10.1806 8.9889 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 8.1375 5.42278 7.57822 9.57953 4.36597 6.67575 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 9.0455 5.0466 8.63018 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.96416 8.58899 9.07294 12.6339 8.75242 6.85651 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.96416 8.58899 9.07294 12.8104 6.45333 7.03858 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 7.17051 5.80658 5.12189 8.64946 5.57746 5.68599 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 7.17051 8.58899 7.50126 12.6339 14.0828 6.85651 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 7.17051 8.58899 7.50126 12.8104 11.5586 7.03858 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.60259 5.30434 6.01666 10.7481 4.10975 8.79299 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 7.26376 6.90398 4.67452 11.9439 7.00921 9.52151 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.54614 9.97507 7.20862 9.37229 6.92911 8.10096 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.29888 4.34203 5.57184 13.3705 4.13744 9.46728 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 9.53211 13.7123 6.51428 14.7581 5.45847 6.06284 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 5.96492 5.34664 4.46389 6.40339 5.4063 7.279 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 5.96492 5.34664 4.46389 9.5348 5.26413 8.43448 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.06908 7.10624 8.91916 7.34794 6.92619 7.97113 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 8.06908 7.10624 8.91916 10.6881 11.3266 8.38479 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 8.06908 5.09929 4.55368 7.34794 6.92619 5.22111 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 8.06908 5.09929 4.55368 10.6881 11.3266 8.53598 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.81689 12.7023 9.50814 14.6106 5.62902 8.22353 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 7.66705 4.90213 5.28417 11.8556 7.61055 9.33447 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 7.66705 4.90213 5.28417 5.43053 5.01049 3.90274 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.28023 5.66978 6.12202 11.7519 10.4456 7.62562 numMergedOcc 0
