0 mol 58 unq 0 iso 0 dist 6.86485 7.71984 9.22598 4.67517 8.96727 4.81926 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.86485 4.67517 8.96727 7.71984 9.22598 4.81926 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.76234 12.5529 9.22598 8.47822 8.96727 4.81926 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 9.76234 8.47822 8.96727 12.5529 9.22598 4.81926 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.77648 8.93735 5.99857 12.4431 6.9362 8.99811 numMergedOcc 0
5 mol 69 unq 0 iso 1 dist 9.77648 12.4431 6.9362 8.93735 5.99857 8.99811 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.18161 5.08122 5.99857 9.69519 6.9362 8.99811 numMergedOcc 0
7 mol 69 unq 1 iso 1 dist 9.18161 9.69519 6.9362 5.08122 5.99857 8.99811 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 7.06277 4.4691 8.40422 5.38419 8.40425 5.52198 numMergedOcc 0
9 mol 89 unq 0 iso 1 dist 7.06277 5.38419 8.40425 4.4691 8.40422 5.52198 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 7.06277 4.4691 8.40422 6.529 7.47974 9.1532 numMergedOcc 0
11 mol 89 unq 1 iso 1 dist 7.06277 6.529 7.47974 4.4691 8.40422 9.1532 numMergedOcc 0
12 mol 89 unq 2 iso 0 dist 7.06277 4.4691 8.40422 8.3977 5.51831 6.50464 numMergedOcc 0
13 mol 89 unq 2 iso 1 dist 7.06277 8.3977 5.51831 4.4691 8.40422 6.50464 numMergedOcc 0
14 mol 89 unq 3 iso 0 dist 7.06277 4.4691 8.40422 9.83986 9.65149 6.54355 numMergedOcc 0
15 mol 89 unq 3 iso 1 dist 7.06277 9.83986 9.65149 4.4691 8.40422 6.54355 numMergedOcc 0
16 mol 89 unq 1 iso 0 dist 7.06277 5.38419 8.40425 6.529 7.47974 4.8812 numMergedOcc 0
17 mol 89 unq 1 iso 1 dist 7.06277 6.529 7.47974 5.38419 8.40425 4.8812 numMergedOcc 0
18 mol 89 unq 2 iso 0 dist 7.06277 5.38419 8.40425 8.3977 5.51831 8.46794 numMergedOcc 0
19 mol 89 unq 2 iso 1 dist 7.06277 8.3977 5.51831 5.38419 8.40425 8.46794 numMergedOcc 0
20 mol 89 unq 3 iso 0 dist 7.06277 5.38419 8.40425 9.83986 9.65149 7.1456 numMergedOcc 0
21 mol 89 unq 3 iso 1 dist 7.06277 9.83986 9.65149 5.38419 8.40425 7.1456 numMergedOcc 0
22 mol 89 unq 2 iso 0 dist 7.06277 6.529 7.47974 8.3977 5.51831 10.4087 numMergedOcc 0
23 mol 89 unq 2 iso 1 dist 7.06277 8.3977 5.51831 6.529 7.47974 10.4087 numMergedOcc 0
24 mol 89 unq 3 iso 0 dist 7.06277 6.529 7.47974 9.83986 9.65149 10.8948 numMergedOcc 0
25 mol 89 unq 3 iso 1 dist 7.06277 9.83986 9.65149 6.529 7.47974 10.8948 numMergedOcc 0
26 mol 89 unq 3 iso 0 dist 7.06277 8.3977 5.51831 9.83986 9.65149 5.45013 numMergedOcc 0
27 mol 89 unq 3 iso 1 dist 7.06277 9.83986 9.65149 8.3977 5.51831 5.45013 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.44426 9.04817 5.10496 4.70157 5.92242 9.51923 numMergedOcc 0
29 mol 98 unq 0 iso 1 dist 5.44426 4.70157 5.92242 9.04817 5.10496 9.51923 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 5.44426 9.04817 5.10496 6.21302 5.2571 8.40073 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 5.44426 6.21302 5.2571 9.04817 5.10496 8.40073 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 5.44426 9.04817 5.10496 11.2075 8.7497 10.2427 numMergedOcc 0
33 mol 98 unq 2 iso 1 dist 5.44426 11.2075 8.7497 9.04817 5.10496 10.2427 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.44426 4.70157 5.92242 6.21302 5.2571 9.42358 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 5.44426 6.21302 5.2571 4.70157 5.92242 9.42358 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.44426 4.70157 5.92242 11.2075 8.7497 13.9786 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 5.44426 11.2075 8.7497 4.70157 5.92242 13.9786 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.44426 6.21302 5.2571 11.2075 8.7497 5.02887 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 5.44426 11.2075 8.7497 6.21302 5.2571 5.02887 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 8.65429 8.35877 9.64383 9.9123 7.54889 13.659 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 8.65429 9.9123 7.54889 8.35877 9.64383 13.659 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 8.65429 8.35877 9.64383 8.49566 7.78931 14.591 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 8.65429 8.49566 7.78931 8.35877 9.64383 14.591 numMergedOcc 0
44 mol 98 unq 4 iso 0 dist 8.65429 9.9123 7.54889 8.49566 7.78931 5.02887 numMergedOcc 0
45 mol 98 unq 4 iso 1 dist 8.65429 8.49566 7.78931 9.9123 7.54889 5.02887 numMergedOcc 0
46 mol 105 unq 0 iso 0 dist 9.84347 8.40852 9.16718 4.7574 7.94633 5.68291 numMergedOcc 0
47 mol 105 unq 0 iso 1 dist 9.84347 4.7574 7.94633 8.40852 9.16718 5.68291 numMergedOcc 0
48 mol 109 unq 0 iso 0 dist 5.33967 5.15479 7.86666 14.949 9.77497 17.2949 numMergedOcc 0
49 mol 109 unq 0 iso 1 dist 5.33967 14.949 9.77497 5.15479 7.86666 17.2949 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 9.21978 10.3475 6.39384 6.86762 9.42082 7.69052 numMergedOcc 0
51 mol 115 unq 0 iso 1 dist 9.21978 6.86762 9.42082 10.3475 6.39384 7.69052 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 14.9183 8.69531 6.81259 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 9.8564 14.9183 8.69531 12.0294 9.33094 6.81259 numMergedOcc 0
54 mol 197 unq 0 iso 0 dist 9.67667 9.73282 9.10817 4.74864 6.86828 5.43601 numMergedOcc 0
55 mol 197 unq 0 iso 1 dist 9.67667 4.74864 6.86828 9.73282 9.10817 5.43601 numMergedOcc 0
56 mol 225 unq 0 iso 0 dist 7.9002 10.0712 8.1945 6.7444 6.50998 13.3965 numMergedOcc 0
57 mol 225 unq 0 iso 1 dist 7.9002 6.7444 6.50998 10.0712 8.1945 13.3965 numMergedOcc 0
58 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 10.8094 5.1823 7.218 numMergedOcc 0
59 mol 235 unq 0 iso 1 dist 9.42801 10.8094 5.1823 15.4299 8.19317 7.218 numMergedOcc 0
60 mol 251 unq 0 iso 0 dist 8.99048 6.30024 9.82601 4.34197 6.50357 5.19086 numMergedOcc 0
61 mol 251 unq 0 iso 1 dist 8.99048 4.34197 6.50357 6.30024 9.82601 5.19086 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 6.66615 5.2836 5.90924 4.53426 5.90058 7.07277 numMergedOcc 0
63 mol 264 unq 0 iso 1 dist 6.66615 4.53426 5.90058 5.2836 5.90924 7.07277 numMergedOcc 0
64 mol 264 unq 1 iso 0 dist 6.66615 5.2836 5.90924 13.628 9.58916 8.96144 numMergedOcc 0
65 mol 264 unq 1 iso 1 dist 6.66615 13.628 9.58916 5.2836 5.90924 8.96144 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 6.66615 4.53426 5.90058 13.628 9.58916 14.3597 numMergedOcc 0
67 mol 264 unq 1 iso 1 dist 6.66615 13.628 9.58916 4.53426 5.90058 14.3597 numMergedOcc 0
