0 mol 24 unq 0 iso 0 dist 8.62284 11.3767 9.38831 6.72423 9.41655 15.0537 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.62284 11.3767 9.38831 4.0664 6.803 12.8421 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.93364 11.952 8.63361 3.8237 9.31883 14.9872 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.93364 11.952 8.63361 6.07532 9.475 14.6661 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.93364 11.952 8.63361 4.47743 8.34011 10.357 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 6.93364 11.952 8.63361 11.418 6.29842 4.465 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 6.34821 11.0362 8.63361 4.97937 9.31883 14.9872 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 6.34821 11.0362 8.63361 3.68737 9.475 14.6661 numMergedOcc 0
8 mol 34 unq 6 iso 0 dist 6.34821 11.0362 8.63361 3.93021 8.34011 10.357 numMergedOcc 0
9 mol 34 unq 7 iso 0 dist 6.34821 11.0362 8.63361 11.1366 6.29842 4.465 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 7.54496 10.2107 7.51138 9.67572 9.08732 11.2933 numMergedOcc 0
11 mol 90 unq 1 iso 0 dist 7.54496 10.6903 9.86843 9.67572 9.08732 5.31762 numMergedOcc 0
12 mol 90 unq 2 iso 0 dist 7.54496 10.968 6.86146 9.67572 9.08732 5.06489 numMergedOcc 0
13 mol 90 unq 3 iso 0 dist 7.54496 5.69605 8.83296 9.67572 9.08732 5.30747 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.20197 4.35316 8.03028 11.6562 7.87729 13.3357 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 9.20197 10.4552 7.39754 11.6562 7.87729 13.7136 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 7.85041 9.97157 5.51624 11.5028 6.46217 10.1484 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 7.85041 8.01991 7.8674 11.5028 6.46217 10.2139 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 7.92876 5.7284 8.77841 6.10261 4.72339 6.86082 numMergedOcc 0
19 mol 111 unq 1 iso 0 dist 7.92876 5.7284 8.77841 4.42903 6.48902 4.79593 numMergedOcc 0
20 mol 111 unq 2 iso 0 dist 7.92876 5.7284 8.77841 13.0195 7.21505 10.2571 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 9.87025 11.1324 8.03035 12.2671 7.62197 10.7475 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 5.85818 8.96522 8.03035 3.71283 7.62197 10.7475 numMergedOcc 0
23 mol 140 unq 0 iso 0 dist 8.01587 5.39245 6.98813 12.9241 8.3735 12.005 numMergedOcc 0
24 mol 140 unq 1 iso 0 dist 8.01587 9.56001 5.39314 12.9241 8.3735 4.77448 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 6.40901 7.12863 5.73236 4.19541 7.22 5.42311 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 5.1101 6.29593 9.23528 7.97454 7.19893 9.20965 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 5.1101 6.29593 9.23528 3.547 6.37938 4.60996 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 7.01133 11.2831 9.23528 13.3536 7.19893 9.20965 numMergedOcc 0
29 mol 147 unq 3 iso 0 dist 7.01133 11.2831 9.23528 9.88741 6.37938 4.60996 numMergedOcc 0
30 mol 163 unq 0 iso 0 dist 8.21476 9.79955 7.3546 11.6682 7.69757 14.9976 numMergedOcc 0
31 mol 163 unq 1 iso 0 dist 7.66897 12.6283 7.3546 7.1982 7.69757 14.9976 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 6.21206 4.05428 9.05835 4.11581 9.12454 6.55448 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 6.86795 6.08698 8.93185 4.24855 8.98941 9.11917 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 6.86795 6.08698 8.93185 5.31276 6.45381 10.6889 numMergedOcc 0
35 mol 218 unq 2 iso 0 dist 6.23898 6.08698 8.22792 4.24855 5.4621 9.11917 numMergedOcc 0
36 mol 218 unq 3 iso 0 dist 6.23898 6.08698 8.22792 5.31276 8.91819 10.6889 numMergedOcc 0
37 mol 218 unq 4 iso 0 dist 6.61099 13.6339 8.93185 10.7049 8.98941 9.11917 numMergedOcc 0
38 mol 218 unq 5 iso 0 dist 6.61099 13.6339 8.93185 4.36581 6.45381 10.6889 numMergedOcc 0
39 mol 237 unq 0 iso 0 dist 7.33613 8.97735 7.63812 5.11578 8.96803 13.4452 numMergedOcc 0
40 mol 237 unq 1 iso 0 dist 7.33613 8.97735 7.63812 13.2415 7.95072 8.49326 numMergedOcc 0
41 mol 237 unq 2 iso 0 dist 7.33613 10.415 8.51129 5.11578 8.96803 14.1628 numMergedOcc 0
42 mol 237 unq 3 iso 0 dist 7.33613 10.415 8.51129 13.2415 7.95072 5.41814 numMergedOcc 0
43 mol 250 unq 0 iso 0 dist 8.70484 6.11942 9.60364 12.1963 7.5999 10.18 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 8.70484 6.11942 9.60364 7.38134 9.50976 8.13777 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 9.42738 8.79843 5.74568 3.50016 8.78525 7.06901 numMergedOcc 0
