0 mol 44 unq 0 iso 0 dist 8.23606 9.24792 7.42925 13.8654 6.07691 9.6782 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 8.34427 5.9261 9.86237 10.482 12.2044 6.28565 numMergedOcc 0
2 mol 135 unq 0 iso 0 dist 6.76073 9.49501 9.03598 15.9806 12.3033 7.90563 numMergedOcc 0
3 mol 135 unq 1 iso 0 dist 6.76073 9.49501 9.03598 14.7218 9.69024 8.97655 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 7.53834 5.56412 5.11444 6.98781 7.24951 6.46461 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 8.954 16.1423 9.25835 15.2202 6.71523 6.45896 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 9.82329 7.33075 9.69399 11.9706 12.5567 9.67741 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.47689 5.39949 6.66608 13.3844 11.067 9.39829 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 6.47689 5.39949 6.66608 9.63295 5.16386 6.41453 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.94671 12.3479 9.68323 12.503 5.40949 6.73956 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 8.63033 4.77368 6.69623 12.6361 9.0689 8.07687 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 8.02214 4.77368 6.21951 12.6361 11.1236 8.07687 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 4.67452 6.66401 9.30312 8.09769 10.0509 7.59632 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 9.86916 13.9364 9.30312 16.9289 10.0509 7.59632 numMergedOcc 0
14 mol 223 unq 0 iso 0 dist 6.03408 5.25583 6.64193 9.52613 4.67731 7.48463 numMergedOcc 0
15 mol 223 unq 1 iso 0 dist 7.80764 10.5593 6.64193 9.94212 4.67731 7.48463 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 5.2851 7.15779 8.61546 12.1015 14.5234 7.43071 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 5.2851 7.15779 8.61546 12.5006 13.552 6.02296 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 4.46389 5.46606 4.68783 10.516 9.82483 5.48118 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 4.46389 5.46606 4.68783 12.27 9.54906 7.25858 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.73077 11.4974 9.69025 11.4871 5.71237 7.98231 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.73077 11.4974 9.69025 16.2919 11.8501 7.08526 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 6.76656 7.39099 9.69025 6.96379 5.71237 7.98231 numMergedOcc 0
23 mol 259 unq 3 iso 0 dist 6.76656 7.39099 9.69025 11.1532 11.8501 7.08526 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 8.07242 6.38496 5.70063 8.32351 5.6441 8.98576 numMergedOcc 0
25 mol 271 unq 1 iso 0 dist 8.07242 6.38496 5.70063 12.4662 5.0976 8.92636 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.07452 16.1753 8.30714 15.8932 7.97998 7.46394 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 9.07452 16.1753 8.30714 21.1839 12.3018 9.45514 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 9.07452 16.1753 8.30714 15.0027 9.61244 8.91672 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 9.07452 16.1753 8.30714 14.7203 5.7745 7.1729 numMergedOcc 0
30 mol 274 unq 4 iso 0 dist 6.44266 7.28382 8.30714 10.3113 7.97998 7.46394 numMergedOcc 0
31 mol 274 unq 5 iso 0 dist 6.44266 7.28382 8.30714 15.4388 12.3018 9.45514 numMergedOcc 0
32 mol 274 unq 6 iso 0 dist 6.44266 7.28382 8.30714 9.79674 9.61244 8.91672 numMergedOcc 0
33 mol 274 unq 7 iso 0 dist 6.44266 7.28382 8.30714 10.3376 5.7745 7.1729 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 8.78203 14.4524 8.16582 14.865 9.36068 7.23721 numMergedOcc 0
35 mol 279 unq 1 iso 0 dist 9.98985 10.2995 6.12347 10.5425 9.73122 9.09855 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 numMergedOcc 0
