0 mol 92 unq 0 iso 0 dist 7.70527 8.15367 10.9389 11.9657 15.2012 8.36431 14.7733 12.7751 10.9701 9.33898 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 7.70527 8.15367 10.9389 11.9657 15.2012 8.36431 19.5554 21.9104 12.4284 9.64443 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 9.84449 9.82043 4.71183 5.2995 7.689 6.58204 13.2687 14.9329 10.9608 9.60661 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 9.84449 9.82043 4.71183 5.2995 7.689 6.58204 11.8029 5.71475 5.01145 7.17106 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 9.84449 9.82043 4.71183 5.2995 7.689 6.58204 12.5343 10.3954 5.69137 9.35224 numMergedOcc 0
5 mol 100 unq 3 iso 0 dist 9.84449 9.82043 4.71183 7.58985 11.1764 7.75343 12.0248 18.5071 15.209 7.47343 numMergedOcc 0
6 mol 100 unq 4 iso 0 dist 9.84449 9.82043 4.71183 7.58985 11.1764 7.75343 13.2687 14.9329 10.9608 6.65086 numMergedOcc 0
7 mol 100 unq 5 iso 0 dist 9.84449 9.82043 4.71183 7.58985 11.1764 7.75343 12.5343 10.3954 5.69137 6.56369 numMergedOcc 0
8 mol 100 unq 6 iso 0 dist 9.84449 9.82043 4.71183 7.58985 11.1764 7.75343 15.2752 13.2084 9.21622 9.30209 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.29626 5.60716 4.41423 5.71451 9.32559 6.50039 8.81562 6.76521 5.60178 4.99221 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.42762 5.52706 5.13314 5.889 9.70616 6.50039 6.86946 6.80053 5.60178 4.99221 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.59279 8.20636 8.53498 16.0489 15.9068 8.59981 22.9955 20.2663 14.9761 8.14887 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 8.59279 8.20636 8.53498 16.0489 15.9068 8.59981 22.1143 20.3482 14.085 9.30299 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.00919 8.25207 12.398 14.4683 20.0949 7.92688 11.5008 14.8226 4.68409 7.11802 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.00919 8.25207 12.398 14.4683 20.0949 7.92688 18.0344 22.2855 12.2037 8.00618 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 5.6184 6.84347 7.90465 12.1089 16.1798 9.31887 17.1425 18.7724 11.0415 9.0018 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 5.6184 6.84347 7.90465 12.1089 16.1798 9.31887 11.1504 12.6541 5.0384 7.652 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 8.63031 9.23118 8.35848 5.40949 10.8493 6.73313 7.86625 8.27268 11.1088 9.31746 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.51432 8.11377 5.42723 5.70988 9.79656 9.62609 13.9401 12.3857 14.6185 8.65997 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.34888 8.11377 9.72888 5.70988 9.02226 9.62609 13.9401 10.9396 14.6185 8.65997 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.74649 8.60471 6.81993 5.47633 10.471 9.58736 9.94654 10.4971 9.66021 5.4638 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.27284 9.67417 7.37771 10.0289 10.1878 9.0012 16.8589 12.2552 9.74238 9.361 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 8.27284 9.67417 7.37771 10.0289 10.1878 9.0012 6.75305 4.41644 5.12409 6.24356 numMergedOcc 0
