0 mol 4 unq 0 iso 0 dist 8.24634 6.29581 7.35416 12.1823 5.5797 9.31104 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.16617 6.29581 6.42755 12.1823 9.88817 9.31104 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.7985 8.43473 6.14469 7.5706 5.82034 6.04832 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.68596 5.03847 6.14469 6.28925 5.82034 6.04832 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.62394 16.147 7.35972 17.7336 10.8146 6.17406 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.62394 16.147 7.35972 20.2749 12.0297 7.2707 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 9.62394 19.4709 9.93542 20.2749 12.0297 8.99816 numMergedOcc 0
7 mol 9 unq 3 iso 0 dist 7.32257 8.50424 7.35972 14.6683 12.2786 9.68136 numMergedOcc 0
8 mol 9 unq 4 iso 0 dist 6.55811 6.02809 7.35972 15.0789 12.2786 9.68136 numMergedOcc 0
9 mol 9 unq 5 iso 0 dist 8.64915 4.98827 7.35972 14.0489 12.2786 9.68136 numMergedOcc 0
10 mol 9 unq 6 iso 0 dist 7.36018 6.02809 9.93542 15.0789 16.2955 9.68136 numMergedOcc 0
11 mol 9 unq 7 iso 0 dist 8.17347 4.98827 9.93542 14.0489 16.2955 9.68136 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 6.42748 10.1154 6.03257 11.4081 6.25997 9.41935 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 7.48342 4.29582 6.03257 7.876 6.25997 9.41935 numMergedOcc 0
14 mol 17 unq 0 iso 0 dist 9.78331 4.03817 7.92012 9.50162 8.85817 5.64906 numMergedOcc 0
15 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 9.8099 5.095 6.85224 numMergedOcc 0
16 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 9.8099 5.095 8.04657 numMergedOcc 0
17 mol 20 unq 2 iso 0 dist 6.09764 8.96335 4.74809 9.67192 4.53009 6.85224 numMergedOcc 0
18 mol 20 unq 3 iso 0 dist 6.09764 6.05944 7.43882 9.67192 4.53009 8.04657 numMergedOcc 0
19 mol 20 unq 4 iso 0 dist 9.20198 8.96335 5.86181 9.67192 5.095 6.85224 numMergedOcc 0
20 mol 20 unq 5 iso 0 dist 9.20198 6.05944 6.3253 9.67192 5.095 8.04657 numMergedOcc 0
21 mol 24 unq 0 iso 0 dist 9.41441 8.52463 6.72323 10.8237 6.39466 6.23824 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 6.73939 5.11617 6.72323 9.40259 6.39466 6.23824 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 5.9465 8.70803 6.77241 7.48658 6.60364 9.81484 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 5.9465 9.52327 5.50508 7.48658 6.60364 5.77527 numMergedOcc 0
25 mol 92 unq 2 iso 0 dist 6.97962 8.87994 6.77241 11.6447 6.60364 9.81484 numMergedOcc 0
26 mol 92 unq 3 iso 0 dist 6.97962 11.641 5.50508 11.6447 6.60364 5.77527 numMergedOcc 0
27 mol 92 unq 4 iso 0 dist 9.95342 7.52639 6.77241 7.20279 6.60364 9.81484 numMergedOcc 0
28 mol 92 unq 5 iso 0 dist 9.95342 7.34683 5.50508 7.20279 6.60364 5.77527 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 4.5985 4.71426 6.84692 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.80975 4.86592 5.75014 4.5985 4.71426 5.74152 numMergedOcc 0
31 mol 100 unq 2 iso 0 dist 7.10378 8.4128 9.5057 8.20656 4.71426 6.84692 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 7.10378 7.96533 5.75014 8.20656 4.71426 5.74152 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 6.64834 4.78075 5.25109 11.1511 7.23254 7.03303 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 5.93786 7.9651 5.25109 12.683 7.23254 7.03303 numMergedOcc 0
35 mol 171 unq 2 iso 0 dist 8.24693 12.6853 5.25109 14.9837 7.23254 7.03303 numMergedOcc 0
36 mol 171 unq 3 iso 0 dist 7.36698 5.90026 5.25109 8.90307 7.23254 7.03303 numMergedOcc 0
37 mol 171 unq 4 iso 0 dist 8.1344 7.9651 8.21618 12.683 8.97143 7.03303 numMergedOcc 0
38 mol 171 unq 5 iso 0 dist 6.71356 12.6853 8.21618 14.9837 8.97143 7.03303 numMergedOcc 0
39 mol 181 unq 0 iso 0 dist 6.2479 4.43096 7.32087 12.0793 10.0785 8.91675 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 6.22122 6.06566 7.32087 12.2582 10.0785 8.91675 numMergedOcc 0
41 mol 181 unq 2 iso 0 dist 9.72611 12.7358 7.22883 14.7034 8.51662 6.2176 numMergedOcc 0
42 mol 181 unq 3 iso 0 dist 7.99195 12.2164 7.32087 15.4559 10.0785 8.91675 numMergedOcc 0
43 mol 226 unq 0 iso 0 dist 8.80683 7.92585 5.70795 13.825 6.20334 8.73772 numMergedOcc 0
44 mol 226 unq 1 iso 0 dist 6.11704 7.554 5.70795 12.2571 6.20334 8.73772 numMergedOcc 0
45 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 8.8949 10.9723 8.20201 numMergedOcc 0
46 mol 237 unq 1 iso 0 dist 9.20822 10.6582 8.10254 16.7484 11.2771 8.08467 numMergedOcc 0
47 mol 244 unq 0 iso 0 dist 5.50492 5.17744 6.22122 5.29811 5.01275 6.61951 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 14.4655 6.54339 8.25037 numMergedOcc 0
49 mol 273 unq 1 iso 0 dist 9.18157 12.1851 7.16346 12.3545 6.54339 8.25037 numMergedOcc 0
50 mol 273 unq 2 iso 0 dist 8.49177 4.60101 7.16346 9.82018 5.91142 6.83684 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 6.92434 4.67674 5.0002 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 9.76787 6.19336 6.73712 8.65577 7.52635 8.64557 numMergedOcc 0
