0 mol 28 unq 0 iso 0 dist 8.24316 6.76158 11.1346 6.18197 13.3907 5.42412 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 7.423 10.8275 6.18197 13.3907 8.09862 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 7.423 10.8275 13.6562 14.0551 8.97167 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.24316 5.89257 7.90018 6.18197 13.3907 8.89114 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.24316 5.89257 7.90018 13.6562 14.0551 8.8182 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.83301 7.73997 10.1829 5.6382 5.52834 9.39402 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.82919 4.74574 9.25177 7.40375 15.9146 8.988 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 10.5572 14.2412 8.96898 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 9.42975 7.47607 13.0684 7.59441 16.136 7.01397 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 9.67476 9.88566 8.43533 4.85065 5.80736 9.10001 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.52544 8.26805 5.50078 4.77004 5.73235 9.50939 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.08674 8.26805 11.6853 4.77004 7.48127 9.50939 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 8.33694 8.26805 4.94673 4.77004 11.1162 9.50939 numMergedOcc 0
13 mol 81 unq 0 iso 0 dist 5.14604 7.94697 4.95944 4.76773 8.10872 8.57764 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 9.63545 9.06641 7.01987 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.80616 8.18193 4.5348 5.64342 8.57909 5.87382 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 8.25015 8.18193 15.571 5.64342 12.7251 5.87382 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 9.9205 9.48604 6.91242 17.4759 14.9397 9.58166 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.88346 5.24882 5.08025 5.57673 5.40826 6.38786 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 8.66519 8.47439 12.949 7.36888 13.4678 5.52214 numMergedOcc 0
20 mol 211 unq 0 iso 0 dist 7.49132 7.78316 9.54726 4.83833 11.3087 7.4575 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 5.50553 8.95095 11.4354 12.1402 16.4812 6.90511 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 4.80695 9.62494 9.90506 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.51286 6.9943 5.79323 4.47412 10.0796 9.03341 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 9.51286 7.36685 7.52317 8.13583 9.0836 6.39822 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 9.51286 7.36685 7.52317 4.80695 9.62494 8.61077 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 9.51286 9.03099 9.52953 8.13583 9.0836 5.36518 numMergedOcc 0
27 mol 266 unq 5 iso 0 dist 9.51286 9.03099 9.52953 4.80695 9.62494 9.11585 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.60879 7.34927 14.4215 4.00063 6.66936 9.07744 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.60879 7.34927 14.4215 13.5537 15.7869 8.42892 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 9.60879 7.34927 14.4215 12.5125 21.64 8.90967 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 6.92271 7.34927 5.11865 4.00063 8.15119 9.07744 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 6.92271 7.34927 5.11865 13.5537 9.29402 8.42892 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 6.92271 7.34927 5.11865 12.5125 13.5254 8.90967 numMergedOcc 0
34 mol 277 unq 6 iso 0 dist 8.62666 7.54315 5.11865 9.31316 8.15119 9.07744 numMergedOcc 0
35 mol 277 unq 7 iso 0 dist 8.62666 7.54315 5.11865 4.15308 9.29402 8.42892 numMergedOcc 0
36 mol 277 unq 8 iso 0 dist 8.62666 7.54315 5.11865 14.7276 13.5254 8.90967 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 8.80931 7.82358 14.7035 3.90611 6.58925 9.39268 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 8.80931 7.82358 14.7035 13.4167 21.8951 9.06888 numMergedOcc 0
