0 mol 9 unq 0 iso 0 dist 7.32257 8.50424 7.35972 7.05346 8.88528 8.076 6.119 10.7921 7.28672 5.55437 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.32257 8.50424 7.35972 10.8213 4.58685 6.32226 13.329 9.17615 5.60208 5.38458 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.55811 6.02809 7.35972 10.5699 8.88528 8.076 8.74199 10.7921 7.28672 5.55437 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.55811 6.02809 7.35972 7.9944 4.58685 6.32226 10.4817 9.17615 5.60208 5.38458 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.64915 4.98827 7.35972 12.6235 8.88528 8.076 10.9454 10.7921 7.28672 5.55437 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.64915 4.98827 7.35972 7.032 4.58685 6.32226 7.51034 9.17615 5.60208 5.38458 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 7.36018 6.02809 9.93542 10.5699 14.0736 8.076 8.74199 14.8012 7.28672 5.55437 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 7.36018 6.02809 9.93542 7.9944 5.83039 6.32226 10.4817 10.7794 5.60208 5.38458 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 8.17347 4.98827 9.93542 12.6235 14.0736 8.076 10.9454 14.8012 7.28672 5.55437 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 8.17347 4.98827 9.93542 7.032 5.83039 6.32226 7.51034 10.7794 5.60208 5.38458 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.1882 13.9675 6.39966 11.8484 17.0794 7.71716 7.69625 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 6.92532 13.9675 6.39966 10.3648 17.0794 7.71716 7.69625 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 6.60423 11.9395 9.69752 6.58998 11.5841 10.025 9.38831 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 9.41441 8.52463 6.72323 13.0257 10.0715 4.90592 6.58998 11.5841 6.99746 9.40479 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.41441 8.52463 6.72323 13.0257 10.0715 4.90592 18.0881 18.2994 11.8996 9.58012 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 9.41441 8.52463 6.72323 6.60423 11.9395 9.36461 6.58998 11.5841 6.99746 9.38831 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 6.73939 11.9112 8.00171 14.156 11.9395 9.69752 9.48345 11.5841 10.025 9.38831 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.73939 5.11617 6.72323 4.93188 10.0715 4.90592 9.48345 11.5841 6.99746 9.40479 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.73939 5.11617 6.72323 4.93188 10.0715 4.90592 14.4162 18.2994 11.8996 9.58012 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 6.73939 5.11617 6.72323 14.156 11.9395 9.36461 9.48345 11.5841 6.99746 9.38831 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 14.1162 9.98219 7.39179 12.1157 12.8873 13.3326 8.48184 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 7.52354 14.3301 9.91054 14.1162 9.98219 7.39179 7.23437 8.29345 9.01596 9.01011 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.78706 11.3905 7.14031 14.2622 8.53212 6.62972 20.3681 15.0563 9.50457 7.63183 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 7.23884 14.2646 7.14031 13.6237 8.53212 6.62972 20.9886 15.0563 9.50457 7.63183 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.59328 4.67519 7.14031 5.88354 8.53212 6.62972 10.7735 15.0563 9.50457 7.63183 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 7.5242 10.4027 7.14031 5.74854 8.53212 6.62972 13.1711 15.0563 9.50457 7.63183 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 7.86572 5.38571 4.46777 8.24418 11.5185 6.52248 8.26172 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 9.70413 7.27731 6.83404 10.271 5.38571 4.46777 7.52396 11.5185 6.52248 8.26172 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.30357 5.81563 8.21184 5.38091 12.4049 7.46845 6.44255 13.0899 11.3995 5.90883 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 7.30357 5.81563 8.21184 5.38091 12.4049 7.46845 5.82636 10.6589 11.6326 8.06913 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 8.61587 5.81563 5.9976 5.38091 11.7015 7.46845 6.44255 14.9434 11.3995 5.90883 numMergedOcc 0
31 mol 156 unq 3 iso 0 dist 8.61587 5.81563 5.9976 5.38091 11.7015 7.46845 5.82636 13.5954 11.6326 8.06913 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 18.0501 9.54524 7.32555 16.6337 11.4752 6.29877 7.82546 numMergedOcc 0
33 mol 171 unq 1 iso 0 dist 6.64834 4.78075 5.25109 12.6307 9.18337 8.1536 15.9374 13.2038 11.6944 9.75627 numMergedOcc 0
34 mol 171 unq 2 iso 0 dist 5.93786 7.9651 5.25109 14.2846 9.18337 8.1536 18.3179 13.2038 11.6944 9.75627 numMergedOcc 0
35 mol 171 unq 3 iso 0 dist 8.24693 12.6853 5.25109 15.3908 9.18337 8.1536 21.0099 13.2038 11.6944 9.75627 numMergedOcc 0
36 mol 171 unq 4 iso 0 dist 7.36698 5.90026 5.25109 13.1421 9.18337 8.1536 12.7692 13.2038 11.6944 9.75627 numMergedOcc 0
37 mol 171 unq 5 iso 0 dist 8.1344 7.9651 8.21618 14.2846 8.83874 8.1536 18.3179 14.8717 11.6944 9.75627 numMergedOcc 0
38 mol 171 unq 6 iso 0 dist 6.71356 12.6853 8.21618 15.3908 8.83874 8.1536 21.0099 14.8717 11.6944 9.75627 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 6.26839 5.92931 5.68348 6.66155 6.37788 8.43261 5.52678 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 8.65535 11.6598 6.1886 6.26839 5.92931 5.68348 5.4499 8.7028 13.8424 9.81666 numMergedOcc 0
41 mol 194 unq 2 iso 0 dist 6.72379 7.11753 6.38324 8.83356 7.50057 5.68348 13.0333 12.6186 8.43261 5.52678 numMergedOcc 0
42 mol 194 unq 3 iso 0 dist 6.72379 7.11753 6.38324 8.83356 7.50057 5.68348 18.6469 15.8032 13.8424 9.81666 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 15.7018 9.25593 9.54499 18.9193 16.3123 11.2776 9.53139 numMergedOcc 0
44 mol 237 unq 1 iso 0 dist 9.20822 10.6582 8.10254 13.2536 6.26206 5.6703 5.65087 5.06628 5.90415 7.63812 numMergedOcc 0
45 mol 237 unq 2 iso 0 dist 9.16003 11.1554 8.10254 12.9119 5.90415 5.06628 5.51666 5.6703 6.26206 7.63812 numMergedOcc 0
46 mol 237 unq 3 iso 0 dist 9.16003 11.1554 8.10254 12.9119 5.90415 5.06628 10.9688 10.9011 3.97854 8.51129 numMergedOcc 0
