0 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 11.8732 7.15901 7.05402 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.21247 12.2906 6.75943 11.8732 7.15901 5.48048 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 6.6536 10.8268 7.7988 13.4686 7.34602 7.83771 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 6.6536 11.179 9.40824 13.4686 7.34602 11.4843 numMergedOcc 0
4 mol 112 unq 2 iso 0 dist 6.6536 4.87668 4.22363 13.4686 7.34602 9.97869 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.40389 5.0333 5.7144 8.20908 7.59156 5.6074 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 4.73115 5.57177 5.35237 9.18584 8.48313 6.02179 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 4.73115 10.8108 7.99477 9.18584 8.48313 10.9332 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 8.73668 14.5913 6.42772 9.18584 6.99345 11.7434 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 8.73668 11.9734 9.1998 9.18584 6.99345 5.12325 numMergedOcc 0
10 mol 134 unq 4 iso 0 dist 8.73668 5.57177 8.70621 9.18584 6.99345 6.02179 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 6.32527 5.96003 6.41689 7.96634 6.09987 5.81236 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 6.32527 5.96003 6.41689 5.35395 6.92726 9.22869 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 6.32527 4.96848 9.07758 7.96634 6.09987 6.8161 numMergedOcc 0
14 mol 152 unq 3 iso 0 dist 6.32527 4.96848 9.07758 5.35395 6.92726 5.71767 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 9.66676 11.4871 9.08274 11.0716 5.13268 5.95519 numMergedOcc 0
16 mol 170 unq 1 iso 0 dist 9.66676 6.45787 9.51256 11.0716 5.13268 7.72147 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.84679 5.5366 7.2793 5.74351 8.31881 6.87725 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 8.93439 8.54702 4.59567 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.565 6.64754 9.78218 8.93439 8.54702 9.48743 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.69052 10.3976 8.14831 9.86822 8.69811 6.18042 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.69052 10.3976 8.14831 10.175 4.98402 4.76151 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 10.1787 6.53286 11.0349 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 5.52788 7.04671 9.72188 10.1787 6.53286 10.7551 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 12.7949 8.88763 13.1624 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 9.993 13.3838 6.73665 10.4475 6.43209 7.34872 numMergedOcc 0
26 mol 239 unq 2 iso 0 dist 9.993 13.3838 6.73665 5.68875 8.48769 8.9361 numMergedOcc 0
27 mol 239 unq 3 iso 0 dist 9.993 16.5315 9.34438 12.7949 8.88763 5.75834 numMergedOcc 0
28 mol 239 unq 4 iso 0 dist 9.993 16.5315 9.34438 10.4475 6.43209 7.5231 numMergedOcc 0
29 mol 239 unq 5 iso 0 dist 9.993 16.5315 9.34438 5.68875 8.48769 14.4518 numMergedOcc 0
30 mol 239 unq 6 iso 0 dist 9.993 10.3956 9.35949 12.7949 8.88763 10.7034 numMergedOcc 0
31 mol 239 unq 7 iso 0 dist 9.993 10.3956 9.35949 10.4475 6.43209 4.15997 numMergedOcc 0
32 mol 239 unq 8 iso 0 dist 9.993 10.3956 9.35949 5.68875 8.48769 5.66218 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.34313 4.51031 6.35028 10.4013 5.81528 6.15987 numMergedOcc 0
