0 mol 19 unq 0 iso 0 dist 8.19695 7.40236 3.73148 8.18566 7.46208 8.43581 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 5.82366 6.38574 5.31883 6.34272 6.39966 9.66242 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.33027 9.26362 9.87332 7.52842 6.15801 12.2864 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.33027 7.05327 6.35031 7.52842 6.15801 6.29842 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 8.2946 9.29284 6.35031 6.51847 6.15801 6.29842 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 7.32707 9.26362 3.9873 7.52842 9.63403 12.2864 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 7.32707 7.05327 5.50427 7.52842 9.63403 6.29842 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 9.25346 9.29284 5.50427 6.51847 9.63403 6.29842 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.01423 8.50375 3.61653 5.73902 9.32898 12.7323 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 10.2706 7.59316 16.8318 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.34031 6.11249 5.39812 10.2706 7.59316 12.1949 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 7.34031 7.86326 8.55482 10.2706 7.59316 15.1948 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 7.34031 4.74786 3.50984 10.2706 7.59316 6.84514 numMergedOcc 0
13 mol 48 unq 4 iso 0 dist 7.281 4.53565 3.65036 10.3548 7.51285 7.05619 numMergedOcc 0
14 mol 48 unq 5 iso 0 dist 7.281 4.53565 3.65036 10.9405 8.86698 10.689 numMergedOcc 0
15 mol 48 unq 6 iso 0 dist 7.281 8.53722 11.611 10.3548 7.51285 16.8291 numMergedOcc 0
16 mol 48 unq 7 iso 0 dist 7.281 8.53722 11.611 10.9405 8.86698 16.7779 numMergedOcc 0
17 mol 48 unq 8 iso 0 dist 7.281 6.15814 5.37655 10.3548 7.51285 12.1973 numMergedOcc 0
18 mol 48 unq 9 iso 0 dist 7.281 6.15814 5.37655 10.9405 8.86698 10.5084 numMergedOcc 0
19 mol 48 unq 10 iso 0 dist 7.281 7.70284 8.48119 10.3548 7.51285 15.0604 numMergedOcc 0
20 mol 48 unq 11 iso 0 dist 7.281 7.70284 8.48119 10.9405 8.86698 13.0631 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 7.6481 8.55712 10.7828 5.36808 6.62229 12.6666 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 7.10439 7.78587 7.98468 11.2505 6.48232 11.3605 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 6.05495 5.61151 5.22259 13.7907 8.70863 12.217 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 6.05495 6.54289 7.66499 13.7907 8.70863 14.7286 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 5.79343 7.93956 5.99273 4.69847 9.17466 12.5815 numMergedOcc 0
26 mol 114 unq 1 iso 0 dist 6.13559 8.61909 3.67473 6.22315 9.35942 12.8816 numMergedOcc 0
27 mol 114 unq 2 iso 0 dist 6.13559 8.61909 3.67473 13.0539 7.42482 6.4569 numMergedOcc 0
28 mol 116 unq 0 iso 0 dist 6.49383 6.28029 4.13755 12.4955 8.79367 12.8417 numMergedOcc 0
29 mol 130 unq 0 iso 0 dist 6.90634 7.92317 3.90693 9.52351 8.91311 10.5111 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 4.25566 6.50336 3.80087 11.1956 9.78667 8.88454 numMergedOcc 0
31 mol 141 unq 1 iso 0 dist 4.25566 6.50336 3.80087 9.65952 8.47026 9.48581 numMergedOcc 0
32 mol 141 unq 2 iso 0 dist 7.31037 6.50336 3.80763 11.1956 6.73983 8.88454 numMergedOcc 0
33 mol 141 unq 3 iso 0 dist 7.31037 6.50336 3.80763 9.65952 8.6387 9.48581 numMergedOcc 0
34 mol 141 unq 4 iso 0 dist 5.26989 9.75587 10.5099 8.00633 6.94988 13.11 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 9.30424 8.08798 4.5497 7.12863 6.95372 5.66207 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 6.05323 8.22067 5.64188 5.33988 7.46845 5.22104 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 9.25517 7.35086 3.64991 6.56378 6.00582 6.58003 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 7.22019 6.81195 3.64991 5.3976 6.00582 6.58003 numMergedOcc 0
39 mol 237 unq 0 iso 0 dist 5.98039 8.33629 4.50383 9.38038 6.07878 8.96803 numMergedOcc 0
40 mol 237 unq 1 iso 0 dist 9.48932 8.33629 9.41259 9.38038 7.80422 8.96803 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 5.40318 5.94614 6.31696 7.10449 8.85062 12.0582 numMergedOcc 0
