0 mol 8 unq 0 iso 0 dist 8.79697 7.36147 8.33604 8.93691 6.26865 4.85329 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.35021 9.68915 9.53002 5.11518 5.43238 7.85924 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.83017 12.1709 7.45237 8.70893 8.43814 6.42104 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.83017 12.1709 7.45237 6.82468 8.16689 6.42248 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 5.1736 8.11238 7.45237 5.93243 8.43814 6.42104 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 5.1736 8.11238 7.45237 5.03446 8.16689 6.42248 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.9648 9.07666 8.63333 11.5787 6.96494 10.6476 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.9648 9.07666 8.63333 6.06895 7.01363 5.92889 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.9648 5.93193 8.89374 11.5787 6.96494 12.7331 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.9648 5.93193 8.89374 6.06895 7.01363 7.05413 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.9648 5.72191 6.46761 11.5787 6.96494 8.74789 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 9.9648 5.72191 6.46761 6.06895 7.01363 6.61756 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 9.9648 10.3384 9.73139 11.5787 6.96494 7.02095 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 9.9648 10.3384 9.73139 6.06895 7.01363 8.94672 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 7.77991 6.43864 9.80142 9.19912 8.06829 4.94316 numMergedOcc 0
15 mol 64 unq 1 iso 0 dist 5.1488 5.9853 8.68586 4.56868 8.4517 5.35421 numMergedOcc 0
16 mol 64 unq 2 iso 0 dist 5.1488 6.43864 9.54144 4.56868 8.4517 5.68303 numMergedOcc 0
17 mol 69 unq 0 iso 0 dist 9.7198 7.50148 7.04352 14.9834 9.70189 11.1718 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 9.33819 12.8158 8.68821 8.89566 7.36816 4.77056 numMergedOcc 0
19 mol 114 unq 1 iso 0 dist 9.33819 4.26125 7.12609 8.89566 7.36816 5.31865 numMergedOcc 0
20 mol 114 unq 2 iso 0 dist 6.06039 5.0333 6.73814 13.312 9.86739 12.1324 numMergedOcc 0
21 mol 114 unq 3 iso 0 dist 6.06039 5.0333 6.73814 10.7702 8.39249 6.95201 numMergedOcc 0
22 mol 114 unq 4 iso 0 dist 6.06039 5.0333 6.73814 5.06074 8.93623 5.9968 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.46812 11.0256 7.92688 12.3706 9.94276 11.8989 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.46812 11.0256 7.92688 12.9387 9.05357 15.0734 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 7.46812 11.0256 7.92688 5.28979 5.99299 9.58627 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 9.71921 4.98931 7.93331 15.9181 9.79554 13.3053 numMergedOcc 0
27 mol 173 unq 1 iso 0 dist 9.71921 7.47584 6.98095 15.9181 9.79554 8.94065 numMergedOcc 0
28 mol 173 unq 2 iso 0 dist 9.71921 9.50929 8.31897 15.9181 9.79554 14.2537 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.89833 6.4322 9.6668 6.72205 8.20656 6.80228 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.89833 6.4322 9.6668 10.7557 9.40622 11.6919 numMergedOcc 0
31 mol 213 unq 0 iso 0 dist 7.48151 7.71164 6.68292 13.6126 8.74171 11.1063 numMergedOcc 0
32 mol 213 unq 1 iso 0 dist 7.48151 7.71164 6.68292 11.1543 6.85195 4.93472 numMergedOcc 0
33 mol 213 unq 2 iso 0 dist 8.58039 7.71164 4.26212 11.1543 6.17451 4.93472 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.26162 8.00193 8.19953 4.60179 4.55996 7.67202 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 9.89345 12.8561 6.87664 4.76056 8.89778 9.36098 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.89345 12.8561 6.87664 10.7068 9.47554 5.29877 numMergedOcc 0
37 mol 228 unq 0 iso 0 dist 6.66395 9.90664 9.42615 7.5464 7.46689 4.81881 numMergedOcc 0
38 mol 228 unq 1 iso 0 dist 8.2286 12.8654 8.06181 10.7923 8.37287 4.81881 numMergedOcc 0
39 mol 228 unq 2 iso 0 dist 8.2286 9.81 8.38048 10.7923 8.37287 6.5952 numMergedOcc 0
40 mol 228 unq 3 iso 0 dist 8.2286 5.34643 7.65132 10.7923 8.37287 11.1604 numMergedOcc 0
41 mol 228 unq 4 iso 0 dist 8.2286 14.0156 8.53764 10.7923 8.37287 10.1917 numMergedOcc 0
42 mol 228 unq 5 iso 0 dist 6.51052 9.86331 9.06121 7.64327 7.09766 4.75417 numMergedOcc 0
43 mol 228 unq 6 iso 0 dist 8.5965 13.0265 7.77367 10.784 8.07174 4.75417 numMergedOcc 0
44 mol 228 unq 7 iso 0 dist 8.5965 10.0235 8.20909 10.784 8.07174 6.53802 numMergedOcc 0
45 mol 228 unq 8 iso 0 dist 8.5965 5.34702 7.94506 10.784 8.07174 11.0908 numMergedOcc 0
46 mol 228 unq 9 iso 0 dist 8.5965 14.0419 8.15494 10.784 8.07174 10.0837 numMergedOcc 0
47 mol 232 unq 0 iso 0 dist 9.94653 10.8978 7.07392 15.4248 9.86861 6.66754 numMergedOcc 0
48 mol 232 unq 1 iso 0 dist 9.94653 10.9318 9.62952 15.4248 9.86861 5.82592 numMergedOcc 0
49 mol 232 unq 2 iso 0 dist 7.97572 10.4487 7.07392 13.097 9.86861 6.66754 numMergedOcc 0
50 mol 232 unq 3 iso 0 dist 7.97572 9.66136 9.62952 13.097 9.86861 5.82592 numMergedOcc 0
51 mol 233 unq 0 iso 0 dist 7.6416 12.1659 9.43203 9.09804 9.2911 4.53103 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 8.64747 5.54495 7.39747 10.9732 6.34801 7.04058 numMergedOcc 0
53 mol 243 unq 0 iso 0 dist 8.75924 7.07529 8.61104 12.6574 9.1101 6.55284 numMergedOcc 0
54 mol 243 unq 1 iso 0 dist 8.75924 7.07529 8.61104 14.7341 8.93338 10.5389 numMergedOcc 0
55 mol 284 unq 0 iso 0 dist 9.73261 11.2546 7.52785 4.58856 7.5746 7.29657 numMergedOcc 0
56 mol 293 unq 0 iso 0 dist 9.94817 10.5736 9.97212 6.7502 9.70656 5.82671 numMergedOcc 0
57 mol 293 unq 1 iso 0 dist 9.94817 10.5736 9.97212 4.50476 6.33356 8.15509 numMergedOcc 0
