0 mol 11 unq 0 iso 0 dist 9.23212 11.3059 6.54358 12.8782 6.86684 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 5.37568 7.65889 5.36911 6.51133 5.94982 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 5.37568 6.42835 5.36911 5.30082 5.94982 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.35095 5.06352 6.6219 10.3893 6.56748 9.73647 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.35095 7.63533 5.68215 10.3893 6.56748 7.26334 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.35095 7.63533 5.68215 10.2645 4.50066 6.19899 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.35095 7.63533 5.68215 9.89331 5.11617 6.61696 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 5.87895 6.87351 8.87744 7.06532 6.38336 4.5711 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 5.87895 7.79018 7.27472 7.06532 6.38336 4.44526 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.87895 7.79018 7.27472 11.0714 6.7828 9.586 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.23292 13.0315 6.55597 11.6867 5.77929 9.16515 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.23292 9.50063 7.07751 11.6867 5.77929 9.82987 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.23292 10.985 9.49421 11.6867 5.77929 6.53269 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 8.23292 10.985 9.49421 11.9631 6.68639 9.81524 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 5.36645 7.51675 9.17838 6.42242 8.82805 6.07052 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.30194 10.7557 8.68662 10.9561 6.56633 8.96616 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.30194 11.1632 7.4369 10.9561 6.56633 6.14542 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 5.79954 11.5216 9.73086 6.66506 5.11416 6.14542 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 7.01889 16.3376 9.73086 11.8962 5.11416 6.14542 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 5.67862 10.8891 7.93372 10.8422 5.29786 9.0176 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.30872 5.88056 5.37047 9.99577 6.48978 5.06564 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 5.30872 5.88056 5.37047 10.2769 5.20762 7.5373 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.04554 5.93188 8.33439 12.4333 7.51976 8.71789 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 9.04554 5.93188 8.33439 10.217 7.23684 5.2693 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 9.42819 4.92282 7.45998 6.80226 10.1865 8.33407 numMergedOcc 0
25 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 13.7008 9.275 6.47164 numMergedOcc 0
26 mol 170 unq 1 iso 0 dist 7.15418 10.4801 9.08274 17.969 12.5696 9.65126 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.7292 5.99091 7.9133 8.82861 5.86489 9.48625 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 7.25658 4.69994 6.99769 11.8723 5.91654 9.25617 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 7.25658 4.69994 6.99769 11.9201 9.14278 9.05276 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 8.0007 6.80826 6.95201 14.548 10.2411 9.37336 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 7.47238 6.2559 6.71524 9.78197 4.9377 9.9183 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.67966 5.07724 5.64285 12.4654 5.08515 7.77911 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 9.27989 3.28983 6.73665 6.91534 11.169 8.95511 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 9.27989 3.28983 6.73665 9.05892 5.88931 5.85002 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 8.21206 5.16962 6.59244 8.85979 4.34713 9.30531 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 6.47376 4.91802 6.35028 9.29922 12.6502 7.17958 numMergedOcc 0
37 mol 279 unq 1 iso 0 dist 9.6147 9.35656 6.35028 10.1555 12.6502 7.17958 numMergedOcc 0
