0 mol 9 unq 0 iso 0 dist 9.8978 5.3866 8.076 10.4202 7.35972 8.88528 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.8978 5.3866 8.076 15.4091 9.93542 14.0736 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.8978 10.6991 6.32226 10.4202 7.35972 4.58685 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.8978 10.6991 6.32226 15.4091 9.93542 5.83039 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.26276 6.49896 8.076 6.29049 7.35972 8.88528 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 6.26276 6.49896 8.076 10.6101 9.93542 14.0736 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 6.26276 5.55187 6.32226 6.29049 7.35972 4.58685 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 6.26276 5.55187 6.32226 10.6101 9.93542 5.83039 numMergedOcc 0
8 mol 10 unq 0 iso 0 dist 8.44864 9.36515 5.40169 5.94361 5.59965 9.61828 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 9.44507 14.6525 9.5053 14.288 6.56527 5.66783 numMergedOcc 0
10 mol 26 unq 1 iso 0 dist 6.17217 5.16784 6.74848 4.29919 6.56527 5.45023 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 9.45566 6.36853 7.03307 4.83412 7.48846 5.1728 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 7.07989 5.79348 8.91427 8.57904 6.74766 7.53895 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 9.77272 11.1344 8.91427 4.05011 6.74766 7.53895 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 6.47416 7.68141 9.36156 4.32712 5.82754 6.01679 numMergedOcc 0
15 mol 79 unq 1 iso 0 dist 6.47416 7.68141 9.36156 11.1935 9.05679 11.0747 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.7913 7.34488 9.05259 11.9687 6.77241 8.0763 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 7.7913 7.34488 9.05259 12.841 5.50508 12.2082 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.94696 11.7159 8.43352 9.51607 7.36769 8.02554 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.94696 11.7159 8.43352 12.5752 6.88901 11.2092 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 5.42828 6.84906 9.77017 6.62328 7.80873 7.22444 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.27794 11.393 9.35942 14.0508 8.42878 10.5177 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 8.27794 13.5888 7.42482 14.0508 8.42878 8.66057 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 7.6005 13.0273 8.79367 10.5065 8.38606 12.2604 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 8.7583 13.1111 8.79367 14.2962 8.38606 12.2604 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.4733 6.64646 9.9151 5.73999 7.20249 4.99495 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.21194 5.31547 8.1536 4.47323 5.25109 9.18337 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 6.21194 5.31547 8.1536 4.73373 8.21618 8.83874 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.58256 5.47232 5.45675 5.98598 6.21159 5.81211 numMergedOcc 0
29 mol 226 unq 0 iso 0 dist 7.04477 7.77366 6.26945 11.378 5.70795 6.85639 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.83422 7.65577 8.28466 6.36084 9.8664 12.721 numMergedOcc 0
31 mol 237 unq 0 iso 0 dist 8.42502 6.68355 5.06628 3.96327 8.10254 5.90415 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 5.66817 8.84384 8.89892 7.4144 6.33496 4.55079 numMergedOcc 0
33 mol 256 unq 1 iso 0 dist 5.66817 8.84384 8.89892 3.86625 6.00636 7.29918 numMergedOcc 0
34 mol 256 unq 2 iso 0 dist 5.66817 8.84384 8.89892 11.0891 7.81448 8.66399 numMergedOcc 0
35 mol 256 unq 3 iso 0 dist 5.66817 8.84384 8.89892 11.854 8.54499 6.4708 numMergedOcc 0
36 mol 260 unq 0 iso 0 dist 5.68717 7.23536 7.99521 7.55193 9.32954 5.52447 numMergedOcc 0
