0 mol 135 unq 0 iso 0 dist 6.76073 9.49501 9.03598 15.9806 12.3033 7.90563 14.7218 9.69024 8.97655 6.57193 numMergedOcc 0
1 mol 135 unq 0 iso 1 dist 6.76073 9.49501 9.03598 14.7218 9.69024 8.97655 15.9806 12.3033 7.90563 6.57193 numMergedOcc 0
2 mol 181 unq 0 iso 0 dist 6.47689 5.39949 6.66608 13.3844 11.067 9.39829 9.63295 5.16386 6.41453 8.85576 numMergedOcc 0
3 mol 181 unq 0 iso 1 dist 6.47689 5.39949 6.66608 9.63295 5.16386 6.41453 13.3844 11.067 9.39829 8.85576 numMergedOcc 0
4 mol 227 unq 0 iso 0 dist 5.2851 7.15779 8.61546 12.1015 14.5234 7.43071 12.5006 13.552 6.02296 4.39704 numMergedOcc 0
5 mol 227 unq 0 iso 1 dist 5.2851 7.15779 8.61546 12.5006 13.552 6.02296 12.1015 14.5234 7.43071 4.39704 numMergedOcc 0
6 mol 249 unq 0 iso 0 dist 4.46389 5.46606 4.68783 10.516 9.82483 5.48118 12.27 9.54906 7.25858 5.3927 numMergedOcc 0
7 mol 249 unq 0 iso 1 dist 4.46389 5.46606 4.68783 12.27 9.54906 7.25858 10.516 9.82483 5.48118 5.3927 numMergedOcc 0
8 mol 259 unq 0 iso 0 dist 8.73077 11.4974 9.69025 11.4871 5.71237 7.98231 16.2919 11.8501 7.08526 6.96053 numMergedOcc 0
9 mol 259 unq 0 iso 1 dist 8.73077 11.4974 9.69025 16.2919 11.8501 7.08526 11.4871 5.71237 7.98231 6.96053 numMergedOcc 0
10 mol 259 unq 1 iso 0 dist 6.76656 7.39099 9.69025 6.96379 5.71237 7.98231 11.1532 11.8501 7.08526 6.96053 numMergedOcc 0
11 mol 259 unq 1 iso 1 dist 6.76656 7.39099 9.69025 11.1532 11.8501 7.08526 6.96379 5.71237 7.98231 6.96053 numMergedOcc 0
12 mol 271 unq 0 iso 0 dist 8.07242 6.38496 5.70063 8.32351 5.6441 8.98576 12.4662 5.0976 8.92636 7.04094 numMergedOcc 0
13 mol 271 unq 0 iso 1 dist 8.07242 6.38496 5.70063 12.4662 5.0976 8.92636 8.32351 5.6441 8.98576 7.04094 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 9.07452 16.1753 8.30714 15.8932 7.97998 7.46394 21.1839 12.3018 9.45514 10.501 numMergedOcc 0
15 mol 274 unq 0 iso 1 dist 9.07452 16.1753 8.30714 21.1839 12.3018 9.45514 15.8932 7.97998 7.46394 10.501 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 9.07452 16.1753 8.30714 15.8932 7.97998 7.46394 15.0027 9.61244 8.91672 14.3919 numMergedOcc 0
17 mol 274 unq 1 iso 1 dist 9.07452 16.1753 8.30714 15.0027 9.61244 8.91672 15.8932 7.97998 7.46394 14.3919 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.07452 16.1753 8.30714 15.8932 7.97998 7.46394 14.7203 5.7745 7.1729 6.15918 numMergedOcc 0
19 mol 274 unq 2 iso 1 dist 9.07452 16.1753 8.30714 14.7203 5.7745 7.1729 15.8932 7.97998 7.46394 6.15918 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.07452 16.1753 8.30714 21.1839 12.3018 9.45514 15.0027 9.61244 8.91672 11.7196 numMergedOcc 0
21 mol 274 unq 1 iso 1 dist 9.07452 16.1753 8.30714 15.0027 9.61244 8.91672 21.1839 12.3018 9.45514 11.7196 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 9.07452 16.1753 8.30714 21.1839 12.3018 9.45514 14.7203 5.7745 7.1729 6.828 numMergedOcc 0
23 mol 274 unq 2 iso 1 dist 9.07452 16.1753 8.30714 14.7203 5.7745 7.1729 21.1839 12.3018 9.45514 6.828 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.07452 16.1753 8.30714 15.0027 9.61244 8.91672 14.7203 5.7745 7.1729 10.0083 numMergedOcc 0
25 mol 274 unq 2 iso 1 dist 9.07452 16.1753 8.30714 14.7203 5.7745 7.1729 15.0027 9.61244 8.91672 10.0083 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 6.44266 7.28382 8.30714 10.3113 7.97998 7.46394 15.4388 12.3018 9.45514 10.501 numMergedOcc 0
27 mol 274 unq 3 iso 1 dist 6.44266 7.28382 8.30714 15.4388 12.3018 9.45514 10.3113 7.97998 7.46394 10.501 numMergedOcc 0
28 mol 274 unq 4 iso 0 dist 6.44266 7.28382 8.30714 10.3113 7.97998 7.46394 9.79674 9.61244 8.91672 14.3919 numMergedOcc 0
29 mol 274 unq 4 iso 1 dist 6.44266 7.28382 8.30714 9.79674 9.61244 8.91672 10.3113 7.97998 7.46394 14.3919 numMergedOcc 0
30 mol 274 unq 5 iso 0 dist 6.44266 7.28382 8.30714 10.3113 7.97998 7.46394 10.3376 5.7745 7.1729 6.15918 numMergedOcc 0
31 mol 274 unq 5 iso 1 dist 6.44266 7.28382 8.30714 10.3376 5.7745 7.1729 10.3113 7.97998 7.46394 6.15918 numMergedOcc 0
32 mol 274 unq 4 iso 0 dist 6.44266 7.28382 8.30714 15.4388 12.3018 9.45514 9.79674 9.61244 8.91672 11.7196 numMergedOcc 0
33 mol 274 unq 4 iso 1 dist 6.44266 7.28382 8.30714 9.79674 9.61244 8.91672 15.4388 12.3018 9.45514 11.7196 numMergedOcc 0
34 mol 274 unq 5 iso 0 dist 6.44266 7.28382 8.30714 15.4388 12.3018 9.45514 10.3376 5.7745 7.1729 6.828 numMergedOcc 0
35 mol 274 unq 5 iso 1 dist 6.44266 7.28382 8.30714 10.3376 5.7745 7.1729 15.4388 12.3018 9.45514 6.828 numMergedOcc 0
36 mol 274 unq 5 iso 0 dist 6.44266 7.28382 8.30714 9.79674 9.61244 8.91672 10.3376 5.7745 7.1729 10.0083 numMergedOcc 0
37 mol 274 unq 5 iso 1 dist 6.44266 7.28382 8.30714 10.3376 5.7745 7.1729 9.79674 9.61244 8.91672 10.0083 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 15.7027 12.3119 9.65934 10.9208 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 9.22306 5.64519 8.91712 10.9208 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 15.7027 12.3119 9.65934 10.9208 numMergedOcc 0
41 mol 288 unq 0 iso 1 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 9.22306 5.64519 8.91712 10.9208 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.04003 7.04567 8.9316 9.22306 5.64519 8.91712 15.7027 12.3119 9.65934 10.9208 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 8.04003 7.04567 8.9316 15.7027 12.3119 9.65934 9.22306 5.64519 8.91712 10.9208 numMergedOcc 0
