0 mol 7 unq 0 iso 0 dist 6.7985 9.0379 9.68596 8.43473 6.14469 5.03847 7.5706 5.82034 6.28925 6.04832 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.68596 9.0379 6.7985 5.03847 6.14469 8.43473 6.28925 5.82034 7.5706 6.04832 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 8.50424 7.35972 6.02809 14.6683 12.2786 15.0789 9.68136 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 6.02809 7.35972 8.50424 15.0789 12.2786 14.6683 9.68136 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 8.50424 7.35972 4.98827 14.6683 12.2786 14.0489 9.68136 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 4.98827 7.35972 8.50424 14.0489 12.2786 14.6683 9.68136 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 6.02809 7.35972 4.98827 15.0789 12.2786 14.0489 9.68136 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 4.98827 7.35972 6.02809 14.0489 12.2786 15.0789 9.68136 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 7.36018 5.06358 8.17347 6.02809 9.93542 4.98827 15.0789 16.2955 14.0489 9.68136 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 8.17347 5.06358 7.36018 4.98827 9.93542 6.02809 14.0489 16.2955 15.0789 9.68136 numMergedOcc 0
10 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 11.4081 6.25997 7.876 9.41935 numMergedOcc 0
11 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 7.876 6.25997 11.4081 9.41935 numMergedOcc 0
12 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0815 5.86181 8.96335 9.8099 5.095 9.67192 6.85224 numMergedOcc 0
13 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 8.96335 5.86181 10.0815 9.67192 5.095 9.8099 6.85224 numMergedOcc 0
14 mol 20 unq 1 iso 0 dist 7.51452 16.5895 9.20198 13.457 6.3253 6.05944 9.8099 5.095 9.67192 8.04657 numMergedOcc 0
15 mol 20 unq 1 iso 1 dist 9.20198 16.5895 7.51452 6.05944 6.3253 13.457 9.67192 5.095 9.8099 8.04657 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 10.8237 6.39466 9.40259 6.23824 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 9.40259 6.39466 10.8237 6.23824 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 5.9465 5.04493 6.97962 8.70803 6.77241 8.87994 7.48658 6.60364 11.6447 9.81484 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 8.87994 6.77241 8.70803 11.6447 6.60364 7.48658 9.81484 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 5.9465 5.04493 6.97962 9.52327 5.50508 11.641 7.48658 6.60364 11.6447 5.77527 numMergedOcc 0
21 mol 92 unq 1 iso 1 dist 6.97962 5.04493 5.9465 11.641 5.50508 9.52327 11.6447 6.60364 7.48658 5.77527 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 5.9465 9.35561 9.95342 8.70803 6.77241 7.52639 7.48658 6.60364 7.20279 9.81484 numMergedOcc 0
23 mol 92 unq 2 iso 1 dist 9.95342 9.35561 5.9465 7.52639 6.77241 8.70803 7.20279 6.60364 7.48658 9.81484 numMergedOcc 0
24 mol 92 unq 3 iso 0 dist 5.9465 9.35561 9.95342 9.52327 5.50508 7.34683 7.48658 6.60364 7.20279 5.77527 numMergedOcc 0
25 mol 92 unq 3 iso 1 dist 9.95342 9.35561 5.9465 7.34683 5.50508 9.52327 7.20279 6.60364 7.48658 5.77527 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 6.97962 12.7769 9.95342 8.87994 6.77241 7.52639 11.6447 6.60364 7.20279 9.81484 numMergedOcc 0
27 mol 92 unq 2 iso 1 dist 9.95342 12.7769 6.97962 7.52639 6.77241 8.87994 7.20279 6.60364 11.6447 9.81484 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 6.97962 12.7769 9.95342 11.641 5.50508 7.34683 11.6447 6.60364 7.20279 5.77527 numMergedOcc 0
29 mol 92 unq 3 iso 1 dist 9.95342 12.7769 6.97962 7.34683 5.50508 11.641 7.20279 6.60364 11.6447 5.77527 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.80975 10.8586 7.10378 5.42531 9.5057 8.4128 4.5985 4.71426 8.20656 6.84692 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 7.10378 10.8586 7.80975 8.4128 9.5057 5.42531 8.20656 4.71426 4.5985 6.84692 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.80975 10.8586 7.10378 4.86592 5.75014 7.96533 4.5985 4.71426 8.20656 5.74152 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 7.10378 10.8586 7.80975 7.96533 5.75014 4.86592 8.20656 4.71426 4.5985 5.74152 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 11.1511 7.23254 12.683 7.03303 numMergedOcc 0
35 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 12.683 7.23254 11.1511 7.03303 numMergedOcc 0
36 mol 171 unq 1 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 11.1511 7.23254 14.9837 7.03303 numMergedOcc 0
37 mol 171 unq 1 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 14.9837 7.23254 11.1511 7.03303 numMergedOcc 0
38 mol 171 unq 2 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 11.1511 7.23254 8.90307 7.03303 numMergedOcc 0
39 mol 171 unq 2 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 8.90307 7.23254 11.1511 7.03303 numMergedOcc 0
40 mol 171 unq 1 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 12.683 7.23254 14.9837 7.03303 numMergedOcc 0
41 mol 171 unq 1 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 14.9837 7.23254 12.683 7.03303 numMergedOcc 0
42 mol 171 unq 2 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 12.683 7.23254 8.90307 7.03303 numMergedOcc 0
43 mol 171 unq 2 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 8.90307 7.23254 12.683 7.03303 numMergedOcc 0
44 mol 171 unq 2 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 14.9837 7.23254 8.90307 7.03303 numMergedOcc 0
45 mol 171 unq 2 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 8.90307 7.23254 14.9837 7.03303 numMergedOcc 0
46 mol 171 unq 3 iso 0 dist 8.1344 7.31409 6.71356 7.9651 8.21618 12.6853 12.683 8.97143 14.9837 7.03303 numMergedOcc 0
47 mol 171 unq 3 iso 1 dist 6.71356 7.31409 8.1344 12.6853 8.21618 7.9651 14.9837 8.97143 12.683 7.03303 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 4.43096 7.32087 6.06566 12.0793 10.0785 12.2582 8.91675 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 6.06566 7.32087 4.43096 12.2582 10.0785 12.0793 8.91675 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 6.2479 8.88798 7.99195 4.43096 7.32087 12.2164 12.0793 10.0785 15.4559 8.91675 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 7.99195 8.88798 6.2479 12.2164 7.32087 4.43096 15.4559 10.0785 12.0793 8.91675 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 6.22122 12.6324 7.99195 6.06566 7.32087 12.2164 12.2582 10.0785 15.4559 8.91675 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 7.99195 12.6324 6.22122 12.2164 7.32087 6.06566 15.4559 10.0785 12.2582 8.91675 numMergedOcc 0
54 mol 226 unq 0 iso 0 dist 8.80683 5.16662 6.11704 7.92585 5.70795 7.554 13.825 6.20334 12.2571 8.73772 numMergedOcc 0
55 mol 226 unq 0 iso 1 dist 6.11704 5.16662 8.80683 7.554 5.70795 7.92585 12.2571 6.20334 13.825 8.73772 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 14.4655 6.54339 12.3545 8.25037 numMergedOcc 0
57 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 12.3545 6.54339 14.4655 8.25037 numMergedOcc 0
