0 mol 11 unq 0 iso 0 dist 9.74528 11.3059 9.89425 15.0022 6.83186 12.0683 14.6629 7.16699 15.6489 5.40468 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.7871 11.0435 9.2146 11.1346 8.53424 16.4255 13.3907 9.64948 15.209 5.42412 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 13.3907 9.64948 15.209 8.09862 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 14.0551 10.1805 18.206 8.97167 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 7.7871 11.0435 9.2146 7.90018 4.82199 13.6412 13.3907 9.64948 15.209 8.89114 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.7871 11.0435 9.2146 7.90018 4.82199 13.6412 14.0551 10.1805 18.206 8.8182 numMergedOcc 0
6 mol 29 unq 0 iso 0 dist 6.80828 5.45544 5.99655 4.52631 9.2087 8.80559 11.0562 9.09595 12.9024 9.03639 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 7.88072 4.5844 8.67216 4.83638 9.63882 3.08756 8.204 3.90342 7.13565 9.11745 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.88072 4.5844 8.67216 5.2103 6.87277 3.30447 8.204 3.90342 7.13565 4.62145 numMergedOcc 0
9 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 5.71433 4.78873 3.60218 11.4403 3.63113 7.84077 7.97002 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 11.2983 3.85292 10.4843 7.33788 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 13.3536 6.44604 8.8645 8.52681 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.26877 12.0497 7.78689 14.2848 8.10774 5.56357 11.2983 3.85292 10.4843 9.74351 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 8.26877 12.0497 7.78689 14.2848 8.10774 5.56357 13.3536 6.44604 8.8645 9.98769 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 16.3967 8.48678 12.7934 9.55284 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 11.2983 3.85292 10.4843 7.36877 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 9.40644 3.85292 10.4843 7.33788 numMergedOcc 0
17 mol 48 unq 7 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 5.35252 6.44604 8.8645 8.52681 numMergedOcc 0
18 mol 48 unq 8 iso 0 dist 7.99434 5.76698 7.78689 9.72202 8.10774 5.56357 9.40644 3.85292 10.4843 9.74351 numMergedOcc 0
19 mol 48 unq 9 iso 0 dist 7.99434 5.76698 7.78689 9.72202 8.10774 5.56357 5.35252 6.44604 8.8645 9.98769 numMergedOcc 0
20 mol 48 unq 10 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 11.2709 8.48678 12.7934 9.55284 numMergedOcc 0
21 mol 48 unq 11 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 9.40644 3.85292 10.4843 7.36877 numMergedOcc 0
22 mol 48 unq 12 iso 0 dist 7.49794 11.3706 7.70645 13.819 8.14245 5.43784 10.6561 3.72746 10.0593 9.21776 numMergedOcc 0
23 mol 48 unq 13 iso 0 dist 7.49794 11.3706 7.70645 13.819 8.14245 5.43784 12.5275 6.4561 8.3491 9.40291 numMergedOcc 0
24 mol 48 unq 14 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 10.6561 3.72746 10.0593 6.89752 numMergedOcc 0
25 mol 48 unq 15 iso 0 dist 7.49794 11.3706 7.70645 9.10301 4.17933 4.57947 10.6561 3.72746 10.0593 6.85843 numMergedOcc 0
26 mol 48 unq 16 iso 0 dist 7.49794 11.3706 7.70645 9.10301 4.17933 4.57947 12.5275 6.4561 8.3491 7.94814 numMergedOcc 0
27 mol 48 unq 17 iso 0 dist 7.49794 11.3706 7.70645 7.24268 5.54893 4.60843 12.5275 6.4561 8.3491 9.55632 numMergedOcc 0
28 mol 48 unq 18 iso 0 dist 8.10222 5.75684 7.70645 9.57893 8.14245 5.43784 9.366 3.72746 10.0593 9.21776 numMergedOcc 0
29 mol 48 unq 19 iso 0 dist 8.10222 5.75684 7.70645 9.57893 8.14245 5.43784 5.06188 6.4561 8.3491 9.40291 numMergedOcc 0
30 mol 48 unq 20 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 9.366 3.72746 10.0593 6.89752 numMergedOcc 0
31 mol 48 unq 21 iso 0 dist 8.10222 5.75684 7.70645 7.88988 4.17933 4.57947 9.366 3.72746 10.0593 6.85843 numMergedOcc 0
32 mol 48 unq 22 iso 0 dist 8.10222 5.75684 7.70645 7.88988 4.17933 4.57947 5.06188 6.4561 8.3491 7.94814 numMergedOcc 0
33 mol 48 unq 23 iso 0 dist 8.10222 5.75684 7.70645 8.00934 5.54893 4.60843 5.06188 6.4561 8.3491 9.55632 numMergedOcc 0
34 mol 63 unq 0 iso 0 dist 6.89855 5.74753 8.78414 9.54378 9.13228 10.1907 13.3867 12.6017 10.9406 6.42443 numMergedOcc 0
35 mol 63 unq 1 iso 0 dist 7.85738 5.82517 8.78414 4.44607 9.13228 10.1907 6.49343 12.6017 10.9406 6.42443 numMergedOcc 0
36 mol 76 unq 0 iso 0 dist 5.91098 13.363 9.57759 11.6853 7.66068 9.50354 7.48127 8.58474 16.1719 9.50939 numMergedOcc 0
37 mol 76 unq 1 iso 0 dist 4.86523 7.37421 9.57759 4.94673 7.66068 9.50354 11.1162 8.58474 16.1719 9.50939 numMergedOcc 0
38 mol 78 unq 0 iso 0 dist 6.11101 7.35151 9.38837 7.38398 8.61143 4.315 9.86325 7.86077 11.2839 7.50229 numMergedOcc 0
39 mol 78 unq 1 iso 0 dist 6.11101 4.76634 9.80913 7.38398 8.61143 9.00868 9.86325 7.86077 10.4541 7.50229 numMergedOcc 0
40 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 4.12785 7.50925 3.62753 7.2118 4.48523 5.25361 5.13041 numMergedOcc 0
41 mol 83 unq 1 iso 0 dist 9.64197 8.82563 5.35861 9.58199 7.50925 3.62753 11.3405 4.48523 5.25361 5.13041 numMergedOcc 0
42 mol 90 unq 0 iso 0 dist 8.63446 6.55381 7.62463 4.77556 5.24346 5.4118 9.06641 6.65219 12.0429 7.01987 numMergedOcc 0
43 mol 143 unq 0 iso 0 dist 9.99012 12.1494 6.60366 11.9534 4.3855 5.94217 12.4651 3.66518 9.78214 6.38786 numMergedOcc 0
44 mol 143 unq 1 iso 0 dist 5.33772 7.11802 6.60366 5.08025 4.3855 5.94217 5.40826 3.66518 9.78214 6.38786 numMergedOcc 0
45 mol 254 unq 0 iso 0 dist 9.84028 8.2786 5.6417 11.2466 9.20109 10.929 12.9967 9.72134 14.0896 7.40957 numMergedOcc 0
46 mol 254 unq 1 iso 0 dist 9.84028 5.20737 7.42831 11.2466 9.20109 10.706 12.9967 9.72134 13.9988 7.40957 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 9.62494 4.39553 9.51145 9.90506 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 10.0796 3.94797 10.1964 9.03341 numMergedOcc 0
49 mol 266 unq 2 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 9.0836 7.63149 8.9221 6.39822 numMergedOcc 0
50 mol 266 unq 3 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 9.62494 4.39553 9.51145 8.61077 numMergedOcc 0
51 mol 266 unq 4 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 9.0836 7.63149 8.9221 5.36518 numMergedOcc 0
52 mol 266 unq 5 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 9.62494 4.39553 9.51145 9.11585 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 8.15119 9.21484 6.42951 9.07744 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 9.29402 7.73174 11.5117 8.42892 numMergedOcc 0
55 mol 277 unq 2 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 13.5254 16.883 18.819 8.90967 numMergedOcc 0
