0 mol 11 unq 0 iso 0 dist 9.07476 5.8961 6.84216 9.36527 9.81983 10.7734 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 12.1061 7.85986 5.11617 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.23055 4.56886 4.17838 7.47544 8.43964 7.05542 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.30746 5.1219 4.17838 4.16536 8.43964 7.05542 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 9.01097 5.35711 8.42718 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 15.3457 9.62952 7.27193 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.42225 7.38295 4.80684 12.2067 6.21165 5.92984 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.42225 15.0071 7.60162 12.2067 6.21165 7.45148 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 8.76449 6.91778 6.73617 7.38323 9.59327 8.93262 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 8.36182 6.91778 9.03544 7.38323 8.51399 8.93262 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 8.26128 5.88662 8.89394 10.3128 8.90588 10.0639 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.067 6.46702 7.93088 7.15755 5.67088 4.20425 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 9.067 6.46702 7.93088 6.85813 9.61332 6.45822 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 6.48066 6.59758 7.48734 6.62718 6.12453 11.7533 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 6.48066 5.81821 5.6125 6.62718 6.12453 7.32989 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 9.12553 5.41121 8.6888 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.17301 8.58814 9.70481 5.18154 9.20617 11.85 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.14525 4.94882 5.90765 6.24225 9.31569 8.98536 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.14525 4.94882 5.90765 10.7353 8.72743 7.30024 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 8.85223 6.04074 7.86092 5.15888 8.34477 8.77113 numMergedOcc 0
20 mol 188 unq 1 iso 0 dist 8.85223 6.04074 7.86092 12.1341 8.4784 10.5721 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 8.54126 5.70808 8.60731 9.74489 9.89191 14.3553 numMergedOcc 0
22 mol 232 unq 1 iso 0 dist 7.64079 4.86949 8.60731 16.2642 9.89191 14.3553 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.60767 6.71528 6.76495 7.82775 7.08328 4.66802 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.60767 11.6193 5.4557 7.82775 7.08328 6.93678 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.24013 10.9928 5.72327 4.60075 6.23115 7.8636 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 8.24013 10.8591 5.81301 4.60075 6.23115 9.87336 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 8.24013 12.5803 9.81201 4.60075 6.23115 11.4648 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 9.13909 13.6632 7.33334 13.2757 6.8089 11.6729 numMergedOcc 0
29 mol 281 unq 1 iso 0 dist 6.82918 7.74992 5.50053 10.5882 6.18742 11.6729 numMergedOcc 0
30 mol 281 unq 2 iso 0 dist 4.29351 7.74992 7.33334 10.5882 6.8089 11.6729 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 4.15763 8.58427 6.56801 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 7.84189 11.7959 8.98698 4.15763 8.58427 10.1857 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 4.15763 8.58427 6.56801 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.84189 11.7959 8.98698 4.15763 8.58427 10.1857 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 4.15763 8.58427 6.56801 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 7.84189 11.7959 8.98698 4.15763 8.58427 10.1857 numMergedOcc 0
