0 mol 4 unq 0 iso 0 dist 8.24634 9.16617 10.6506 6.29581 7.35416 6.42755 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.24634 8.87255 11.7391 6.29581 7.35416 10.4501 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 9.16617 8.24634 10.6506 6.29581 6.42755 7.35416 numMergedOcc 0
3 mol 4 unq 3 iso 0 dist 9.16617 8.87255 6.49264 6.29581 6.42755 10.4501 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 6.7985 6.44736 6.14349 8.43473 6.14469 9.97009 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 6.02809 7.35972 9.93542 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.55811 8.48677 6.17866 6.02809 7.35972 12.3519 numMergedOcc 0
7 mol 9 unq 2 iso 0 dist 8.64915 8.17347 5.43306 4.98827 7.35972 9.93542 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 8.64915 7.83133 11.3401 4.98827 7.35972 11.9655 numMergedOcc 0
9 mol 9 unq 4 iso 0 dist 7.36018 6.55811 5.43306 6.02809 9.93542 7.35972 numMergedOcc 0
10 mol 9 unq 5 iso 0 dist 7.36018 8.48677 4.41171 6.02809 9.93542 12.3519 numMergedOcc 0
11 mol 9 unq 6 iso 0 dist 8.17347 8.64915 5.43306 4.98827 9.93542 7.35972 numMergedOcc 0
12 mol 9 unq 7 iso 0 dist 8.17347 7.83133 6.8386 4.98827 9.93542 11.9655 numMergedOcc 0
13 mol 11 unq 0 iso 0 dist 6.35398 4.30695 7.0964 10.9183 7.98326 13.8519 numMergedOcc 0
14 mol 11 unq 1 iso 0 dist 6.35398 4.30695 7.0964 9.99434 7.90478 11.1888 numMergedOcc 0
15 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 10.0815 5.86181 11.6953 numMergedOcc 0
16 mol 20 unq 1 iso 0 dist 7.51452 6.03547 6.92904 13.457 6.3253 10.6446 numMergedOcc 0
17 mol 20 unq 2 iso 0 dist 7.51452 6.03547 6.92904 11.3821 5.80568 10.0032 numMergedOcc 0
18 mol 20 unq 3 iso 0 dist 6.09764 9.20198 6.05053 8.96335 4.74809 5.86181 numMergedOcc 0
19 mol 20 unq 4 iso 0 dist 6.09764 9.20198 6.05053 6.05944 7.43882 6.3253 numMergedOcc 0
20 mol 20 unq 5 iso 0 dist 6.09764 9.20198 6.05053 7.46656 7.31198 5.80568 numMergedOcc 0
21 mol 20 unq 6 iso 0 dist 9.20198 6.09764 6.05053 8.96335 5.86181 4.74809 numMergedOcc 0
22 mol 20 unq 7 iso 0 dist 9.20198 6.09764 6.05053 6.05944 6.3253 7.43882 numMergedOcc 0
23 mol 20 unq 8 iso 0 dist 9.20198 6.09764 6.05053 7.46656 5.80568 7.31198 numMergedOcc 0
24 mol 24 unq 0 iso 0 dist 7.33768 9.01567 7.88693 6.66749 8.00171 4.2121 numMergedOcc 0
25 mol 24 unq 1 iso 0 dist 7.33768 7.29868 10.2653 6.66749 8.00171 6.72323 numMergedOcc 0
26 mol 24 unq 2 iso 0 dist 9.01567 7.33768 7.88693 6.66749 4.2121 8.00171 numMergedOcc 0
27 mol 24 unq 3 iso 0 dist 9.01567 7.29868 6.16544 6.66749 4.2121 6.72323 numMergedOcc 0
28 mol 24 unq 4 iso 0 dist 6.73939 8.70827 15.0804 6.56748 5.95834 11.9138 numMergedOcc 0
29 mol 24 unq 5 iso 0 dist 6.73939 8.70827 15.0804 4.50066 4.2121 11.8282 numMergedOcc 0
30 mol 24 unq 6 iso 0 dist 6.73939 8.70827 15.0804 11.9112 8.00171 18.9552 numMergedOcc 0
31 mol 24 unq 7 iso 0 dist 6.73939 8.70827 15.0804 5.11617 6.72323 12.8389 numMergedOcc 0
32 mol 24 unq 8 iso 0 dist 8.4051 8.23446 14.1082 12.176 6.72323 19.0465 numMergedOcc 0
33 mol 24 unq 9 iso 0 dist 8.4051 8.75662 9.62033 12.176 6.72323 15.7523 numMergedOcc 0
34 mol 24 unq 10 iso 0 dist 7.29868 7.33768 10.2653 6.66749 6.72323 8.00171 numMergedOcc 0
35 mol 24 unq 11 iso 0 dist 7.29868 9.01567 6.16544 6.66749 6.72323 4.2121 numMergedOcc 0
36 mol 24 unq 12 iso 0 dist 8.60554 8.44664 14.1496 14.012 6.72323 18.7793 numMergedOcc 0
37 mol 24 unq 13 iso 0 dist 8.60554 9.44691 9.62033 14.012 6.72323 15.7523 numMergedOcc 0
38 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 6.08585 6.25843 11.4912 numMergedOcc 0
39 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 5.77929 6.25843 8.88938 numMergedOcc 0
40 mol 25 unq 2 iso 0 dist 9.01548 7.45383 12.6805 5.77929 8.88938 6.25843 numMergedOcc 0
41 mol 65 unq 0 iso 0 dist 6.72639 9.34791 5.56801 5.51708 5.94206 10.909 numMergedOcc 0
42 mol 65 unq 1 iso 0 dist 6.76508 8.22785 5.56801 6.47381 5.94206 10.909 numMergedOcc 0
43 mol 91 unq 0 iso 0 dist 9.30539 9.01176 9.17687 4.57085 8.66165 12.1299 numMergedOcc 0
44 mol 92 unq 0 iso 0 dist 5.9465 8.18107 9.38827 8.70803 6.77241 15.4529 numMergedOcc 0
45 mol 92 unq 1 iso 0 dist 5.9465 8.18107 9.38827 9.52327 5.50508 13.7988 numMergedOcc 0
46 mol 92 unq 2 iso 0 dist 6.97962 9.8859 9.38827 8.87994 6.77241 15.4529 numMergedOcc 0
47 mol 92 unq 3 iso 0 dist 6.97962 9.8859 9.38827 11.641 5.50508 13.7988 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 15.3454 9.5057 16.2173 numMergedOcc 0
49 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 7.27193 6.6317 10.0094 numMergedOcc 0
50 mol 125 unq 0 iso 0 dist 8.76789 9.08382 4.38093 6.40824 6.11502 6.33431 numMergedOcc 0
51 mol 125 unq 1 iso 0 dist 9.08382 8.76789 4.38093 6.40824 6.33431 6.11502 numMergedOcc 0
52 mol 125 unq 2 iso 0 dist 7.73435 9.3778 4.38093 9.20086 6.11502 6.33431 numMergedOcc 0
53 mol 125 unq 3 iso 0 dist 9.3778 7.73435 4.38093 9.20086 6.33431 6.11502 numMergedOcc 0
54 mol 129 unq 0 iso 0 dist 9.36851 4.97175 5.41583 4.55551 9.73158 7.59327 numMergedOcc 0
55 mol 129 unq 1 iso 0 dist 4.97175 9.36851 5.41583 4.55551 7.59327 9.73158 numMergedOcc 0
56 mol 129 unq 2 iso 0 dist 6.28565 7.58957 7.91034 10.7293 9.73158 16.1714 numMergedOcc 0
57 mol 129 unq 3 iso 0 dist 6.28565 7.58957 7.91034 7.29399 7.59327 13.8117 numMergedOcc 0
58 mol 156 unq 0 iso 0 dist 7.30357 8.61587 6.12113 5.81563 8.21184 5.9976 numMergedOcc 0
59 mol 156 unq 1 iso 0 dist 7.30357 8.61587 6.12113 5.52796 5.41575 6.86566 numMergedOcc 0
60 mol 156 unq 2 iso 0 dist 8.61587 7.30357 6.12113 5.81563 5.9976 8.21184 numMergedOcc 0
61 mol 156 unq 3 iso 0 dist 8.61587 7.30357 6.12113 5.52796 6.86566 5.41575 numMergedOcc 0
62 mol 156 unq 4 iso 0 dist 9.44367 9.47433 16.7026 5.71511 8.37434 14.1424 numMergedOcc 0
63 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 5.48551 7.22518 7.58499 numMergedOcc 0
64 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 7.9651 5.25109 8.21618 numMergedOcc 0
65 mol 171 unq 2 iso 0 dist 8.24693 6.71356 3.98338 8.05069 7.22518 7.58499 numMergedOcc 0
66 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 12.6853 5.25109 8.21618 numMergedOcc 0
67 mol 171 unq 4 iso 0 dist 8.1344 5.93786 3.98338 5.48551 7.58499 7.22518 numMergedOcc 0
68 mol 171 unq 5 iso 0 dist 8.1344 5.93786 3.98338 7.9651 8.21618 5.25109 numMergedOcc 0
69 mol 171 unq 6 iso 0 dist 6.71356 8.24693 3.98338 8.05069 7.58499 7.22518 numMergedOcc 0
70 mol 171 unq 7 iso 0 dist 6.71356 8.24693 3.98338 12.6853 8.21618 5.25109 numMergedOcc 0
71 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 7.81713 7.32087 8.86197 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 6.59025 6.46704 9.87773 7.81713 8.86197 7.32087 numMergedOcc 0
73 mol 181 unq 2 iso 0 dist 6.59025 6.46704 9.87773 7.16549 5.94379 13.134 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 9.72611 7.99195 12.1167 12.7358 7.22883 17.8426 numMergedOcc 0
75 mol 181 unq 4 iso 0 dist 7.99195 9.72611 12.1167 12.2164 7.32087 17.8851 numMergedOcc 0
76 mol 181 unq 5 iso 0 dist 7.99195 9.72611 12.1167 5.77299 8.86197 15.3124 numMergedOcc 0
77 mol 181 unq 6 iso 0 dist 5.9176 6.41453 9.53592 6.29863 7.22883 11.8112 numMergedOcc 0
78 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 7.11753 6.38324 12.3845 numMergedOcc 0
79 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 7.77516 6.94789 10.7602 numMergedOcc 0
80 mol 237 unq 0 iso 0 dist 9.20822 7.41478 8.65228 10.6582 8.10254 10.726 numMergedOcc 0
81 mol 238 unq 0 iso 0 dist 8.69104 7.57812 6.25098 8.1195 5.92374 10.6756 numMergedOcc 0
82 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 6.52035 7.75216 12.0228 numMergedOcc 0
83 mol 274 unq 1 iso 0 dist 6.39866 9.45514 10.7637 6.16703 6.88827 10.6742 numMergedOcc 0
84 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 5.64601 9.16942 10.083 numMergedOcc 0
