0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 10.3757 7.03948 6.2983 9.78197 5.30082 6.93532 11.7521 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 11.0283 4.64838 6.41575 5.82366 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 11.0283 4.64838 6.41423 5.82366 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 13.1713 6.66749 9.41441 13.2857 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.44473 11.2947 6.65721 10.8911 8.76003 5.83489 18.6888 13.5488 9.25641 14.7343 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.75668 7.26966 9.67592 4.97497 8.68586 5.3948 5.94373 6.21578 9.97159 9.32552 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 8.88127 5.15851 10.0425 20.477 11.4997 9.81166 13.1026 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 6.96759 13.8905 7.79912 6.78257 5.15851 10.0425 18.043 11.4997 9.81166 13.1026 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 6.97318 11.2774 7.79912 4.7798 5.15851 10.0425 17.0121 11.4997 9.81166 13.1026 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.689 5.71475 7.17106 4.71183 6.58204 5.01145 11.1456 10.6848 7.10378 11.9163 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 19.0265 11.2312 7.38135 18.081 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.47554 5.34829 7.11802 6.61857 7.92688 4.68409 10.1132 16.0138 9.22232 12.3267 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.47554 5.34829 7.11802 6.61857 7.92688 4.68409 10.7163 5.92062 9.22661 6.51868 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.47554 5.34829 7.11802 6.61857 7.92688 4.68409 12.2027 6.61891 7.56378 7.34698 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 11.6726 5.71679 7.69991 8.73604 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 11.6726 5.71679 6.23142 8.73604 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 11.0888 4.57832 6.23142 8.73604 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 11.0888 4.57832 9.94764 8.73604 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 11.0888 5.29786 6.23142 8.73604 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 11.0888 5.29786 9.94764 8.73604 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 12.2628 7.77758 5.94469 7.05653 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.44947 10.2677 8.51516 12.7783 5.90931 12.9483 7.59757 5.86489 7.32294 11.641 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.52924 11.993 7.26832 15.3503 9.19704 6.23291 15.0233 10.3603 5.44002 10.5073 numMergedOcc 0
23 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 12.5973 9.52027 6.43758 8.76128 6.552 6.85935 12.3767 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 9.46015 6.84247 6.7067 10.6444 7.11498 6.59716 9.7334 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 5.39218 13.3213 9.23153 4.51612 6.99002 15.9568 10.6444 7.11498 6.59716 13.5801 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 13.8669 6.35849 7.43071 12.2922 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 14.0842 10.9607 5.41321 7.57454 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 8.27093 10.9533 7.09863 6.92493 8.17891 9.13836 13.8669 6.35849 6.02296 12.2922 numMergedOcc 0
29 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 13.8669 10.204 7.43071 19.0662 numMergedOcc 0
30 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 14.0842 9.72615 5.41321 14.0608 numMergedOcc 0
31 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 13.8669 10.204 7.43071 12.2922 numMergedOcc 0
32 mol 227 unq 6 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 14.0842 9.72615 5.41321 7.57454 numMergedOcc 0
33 mol 227 unq 7 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 12.4438 9.32448 7.43071 10.4957 numMergedOcc 0
34 mol 227 unq 8 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 11.8295 6.48027 5.41321 13.792 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 10.9732 7.20082 7.04058 8.99878 10.0842 9.01021 10.9156 numMergedOcc 0
