0 mol 30 unq 0 iso 0 dist 6.30807 11.2046 7.2159 5.03442 8.98564 10.4174 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.30807 11.2046 7.2159 8.04261 7.51725 5.53262 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 6.30807 8.40606 8.93093 5.03442 8.98564 7.91033 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 6.30807 8.40606 8.93093 8.04261 7.51725 4.79123 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 8.20049 4.32449 9.46036 9.10395 5.61567 11.5376 numMergedOcc 0
5 mol 30 unq 5 iso 0 dist 8.20049 4.32449 9.46036 8.88132 8.46981 11.3023 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 5.02755 5.84744 9.37301 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 5.78968 4.72428 9.3913 6.44497 7.30651 8.14778 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.61468 5.71434 6.02034 7.18645 7.32064 8.76068 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.61468 5.71434 6.02034 6.85342 5.24136 6.05023 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 8.61468 5.71434 6.02034 10.4457 6.44687 5.10057 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 8.61468 5.71434 6.02034 12.613 5.85007 11.6562 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 6.27186 5.71434 6.77808 7.18645 4.62314 8.76068 numMergedOcc 0
13 mol 78 unq 5 iso 0 dist 6.27186 5.71434 6.77808 6.85342 4.41745 6.05023 numMergedOcc 0
14 mol 78 unq 6 iso 0 dist 6.27186 5.71434 6.77808 12.613 6.35234 11.6562 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 9.04935 13.9849 8.71103 9.01045 8.59739 6.2804 numMergedOcc 0
16 mol 83 unq 0 iso 0 dist 9.04648 10.9906 7.80113 5.1778 7.84642 7.46457 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 6.02644 5.17083 5.57712 8.96364 9.43496 12.6233 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 6.79564 10.1416 9.81273 3.98194 4.49975 7.07978 numMergedOcc 0
19 mol 103 unq 1 iso 0 dist 6.79564 11.405 6.67575 3.98194 4.49975 7.93499 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 8.58741 9.14068 4.91593 numMergedOcc 0
21 mol 108 unq 1 iso 0 dist 8.69068 4.62224 7.57593 8.58741 9.14068 6.23415 numMergedOcc 0
22 mol 108 unq 2 iso 0 dist 8.89997 5.53449 6.79804 3.94147 7.90433 4.91593 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 6.83539 8.16509 7.0795 6.27023 9.31012 4.72676 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 9.36652 8.84757 9.71499 4.80469 7.23526 4.85236 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 7.54613 6.28363 9.71499 4.07811 7.23526 4.85236 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.98579 7.68028 4.75866 7.20921 8.41945 11.481 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 8.28068 5.08363 8.80418 8.21071 7.81241 10.5903 numMergedOcc 0
28 mol 283 unq 1 iso 0 dist 8.28068 5.08363 8.80418 6.36596 9.52445 9.41544 numMergedOcc 0
