0 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 12.3294 6.05053 4.74809 19.3534 12.4598 10.5097 7.14069 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.51452 10.0815 5.86181 12.3294 6.05053 4.74809 20.464 13.3189 12.7656 8.58641 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.51452 10.0815 5.86181 12.3294 6.05053 4.74809 16.3456 9.07213 10.2902 5.99466 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.51452 13.457 6.3253 12.3294 6.05053 7.43882 19.3534 12.4598 10.3149 7.14069 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 7.51452 13.457 6.3253 12.3294 6.05053 7.43882 20.464 13.3189 9.84883 8.58641 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 7.51452 13.457 6.3253 12.3294 6.05053 7.43882 16.3456 9.07213 5.22924 5.99466 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 7.51452 11.3821 5.80568 12.3294 6.05053 7.31198 19.3534 12.4598 11.2406 7.14069 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 7.51452 11.3821 5.80568 12.3294 6.05053 7.31198 20.464 13.3189 13.0235 8.58641 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 7.51452 11.3821 5.80568 12.3294 6.05053 7.31198 16.3456 9.07213 9.92781 5.99466 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 6.09764 8.96335 4.74809 9.20198 6.05053 5.86181 4.18921 5.99466 10.2902 9.07213 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 6.09764 6.05944 7.43882 9.20198 6.05053 6.3253 4.18921 5.99466 5.22924 9.07213 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 6.09764 7.46656 7.31198 9.20198 6.05053 5.80568 4.18921 5.99466 9.92781 9.07213 numMergedOcc 0
12 mol 20 unq 12 iso 0 dist 9.20198 8.96335 5.86181 6.09764 6.05053 4.74809 4.95725 12.4598 10.5097 7.14069 numMergedOcc 0
13 mol 20 unq 13 iso 0 dist 9.20198 8.96335 5.86181 6.09764 6.05053 4.74809 5.84217 13.3189 12.7656 8.58641 numMergedOcc 0
14 mol 20 unq 14 iso 0 dist 9.20198 8.96335 5.86181 6.09764 6.05053 4.74809 4.18921 9.07213 10.2902 5.99466 numMergedOcc 0
15 mol 20 unq 15 iso 0 dist 9.20198 6.05944 6.3253 6.09764 6.05053 7.43882 4.95725 12.4598 10.3149 7.14069 numMergedOcc 0
16 mol 20 unq 16 iso 0 dist 9.20198 6.05944 6.3253 6.09764 6.05053 7.43882 5.84217 13.3189 9.84883 8.58641 numMergedOcc 0
17 mol 20 unq 17 iso 0 dist 9.20198 6.05944 6.3253 6.09764 6.05053 7.43882 4.18921 9.07213 5.22924 5.99466 numMergedOcc 0
18 mol 20 unq 18 iso 0 dist 9.20198 7.46656 5.80568 6.09764 6.05053 7.31198 4.95725 12.4598 11.2406 7.14069 numMergedOcc 0
19 mol 20 unq 19 iso 0 dist 9.20198 7.46656 5.80568 6.09764 6.05053 7.31198 5.84217 13.3189 13.0235 8.58641 numMergedOcc 0
20 mol 20 unq 20 iso 0 dist 9.20198 7.46656 5.80568 6.09764 6.05053 7.31198 4.18921 9.07213 9.92781 5.99466 numMergedOcc 0
21 mol 24 unq 0 iso 0 dist 7.33768 6.66749 8.00171 12.2059 10.3279 5.95834 17.5858 17.8878 12.5545 9.73647 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 7.33768 6.66749 8.00171 12.2059 10.3279 5.95834 8.91183 11.9029 4.08755 7.26334 numMergedOcc 0
23 mol 24 unq 2 iso 0 dist 7.33768 6.66749 8.00171 12.2059 10.3279 5.95834 13.0212 12.7215 6.86136 5.78532 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 7.33768 6.66749 8.00171 9.01567 7.88693 4.2121 8.91183 11.9029 4.08755 6.19899 numMergedOcc 0
25 mol 24 unq 4 iso 0 dist 7.33768 6.66749 8.00171 9.01567 7.88693 4.2121 13.0212 12.7215 6.86136 8.49709 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 7.33768 6.66749 8.00171 7.29868 10.2653 6.72323 8.91183 11.9029 4.08755 6.61696 numMergedOcc 0
27 mol 24 unq 6 iso 0 dist 7.33768 6.66749 8.00171 7.29868 10.2653 6.72323 5.69214 10.8435 10.0453 5.80953 numMergedOcc 0
28 mol 24 unq 7 iso 0 dist 9.01567 6.66749 4.2121 12.2059 4.15946 5.95834 17.5858 10.1229 12.5545 9.73647 numMergedOcc 0
29 mol 24 unq 8 iso 0 dist 9.01567 6.66749 4.2121 12.2059 4.15946 5.95834 8.91183 6.19899 4.08755 7.26334 numMergedOcc 0
30 mol 24 unq 9 iso 0 dist 9.01567 6.66749 4.2121 12.2059 4.15946 5.95834 13.0212 8.49709 6.86136 5.78532 numMergedOcc 0
31 mol 24 unq 10 iso 0 dist 9.01567 6.66749 4.2121 7.29868 6.16544 6.72323 8.91183 6.19899 4.08755 6.61696 numMergedOcc 0
32 mol 24 unq 11 iso 0 dist 9.01567 6.66749 4.2121 7.29868 6.16544 6.72323 5.69214 10.8068 10.0453 5.80953 numMergedOcc 0
33 mol 24 unq 12 iso 0 dist 8.4051 12.176 6.72323 11.3566 9.92026 5.95834 4.82629 11.3231 12.5545 9.73647 numMergedOcc 0
34 mol 24 unq 13 iso 0 dist 8.4051 12.176 6.72323 11.3566 9.92026 5.95834 10.1698 6.61696 4.08755 7.26334 numMergedOcc 0
35 mol 24 unq 14 iso 0 dist 8.4051 12.176 6.72323 11.3566 9.92026 5.95834 15.2259 12.9064 6.86136 5.78532 numMergedOcc 0
36 mol 24 unq 15 iso 0 dist 8.4051 12.176 6.72323 9.83002 6.16544 4.2121 10.1698 6.61696 4.08755 6.19899 numMergedOcc 0
37 mol 24 unq 16 iso 0 dist 8.4051 12.176 6.72323 9.83002 6.16544 4.2121 15.2259 12.9064 6.86136 8.49709 numMergedOcc 0
38 mol 24 unq 17 iso 0 dist 7.29868 6.66749 6.72323 12.2059 9.92026 5.95834 17.5858 11.3231 12.5545 9.73647 numMergedOcc 0
39 mol 24 unq 18 iso 0 dist 7.29868 6.66749 6.72323 12.2059 9.92026 5.95834 8.91183 6.61696 4.08755 7.26334 numMergedOcc 0
40 mol 24 unq 19 iso 0 dist 7.29868 6.66749 6.72323 12.2059 9.92026 5.95834 13.0212 12.9064 6.86136 5.78532 numMergedOcc 0
41 mol 24 unq 20 iso 0 dist 7.29868 6.66749 6.72323 9.01567 6.16544 4.2121 8.91183 6.61696 4.08755 6.19899 numMergedOcc 0
42 mol 24 unq 21 iso 0 dist 7.29868 6.66749 6.72323 9.01567 6.16544 4.2121 13.0212 12.9064 6.86136 8.49709 numMergedOcc 0
43 mol 24 unq 22 iso 0 dist 8.60554 14.012 6.72323 17.592 9.92026 5.95834 18.6847 11.3231 12.5545 9.73647 numMergedOcc 0
44 mol 24 unq 23 iso 0 dist 8.60554 14.012 6.72323 17.592 9.92026 5.95834 14.8647 6.61696 4.08755 7.26334 numMergedOcc 0
45 mol 24 unq 24 iso 0 dist 8.60554 14.012 6.72323 17.592 9.92026 5.95834 20.7962 12.9064 6.86136 5.78532 numMergedOcc 0
46 mol 24 unq 25 iso 0 dist 8.60554 14.012 6.72323 13.4393 6.16544 4.2121 14.8647 6.61696 4.08755 6.19899 numMergedOcc 0
47 mol 24 unq 26 iso 0 dist 8.60554 14.012 6.72323 13.4393 6.16544 4.2121 20.7962 12.9064 6.86136 8.49709 numMergedOcc 0
48 mol 25 unq 0 iso 0 dist 9.01548 5.77929 8.88938 7.45383 12.6805 6.25843 6.47509 12.506 3.904 5.20109 numMergedOcc 0
49 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 11.3767 5.74171 9.60622 6.95017 8.93769 11.9597 8.98912 numMergedOcc 0
50 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 11.3043 10.2754 7.36769 10.4782 8.46823 3.92737 9.25444 numMergedOcc 0
51 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 11.3043 10.2754 7.36769 3.9764 4.62494 3.94967 9.84703 numMergedOcc 0
52 mol 129 unq 0 iso 0 dist 9.36851 4.55551 9.73158 4.97175 5.41583 7.59327 6.16616 12.8649 8.3321 9.35533 numMergedOcc 0
53 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 12.5586 6.33946 6.75376 16.6057 9.78006 6.93828 9.27009 numMergedOcc 0
54 mol 141 unq 1 iso 0 dist 8.10291 14.7684 9.83945 17.6845 12.8394 9.10042 19.1217 16.8263 14.0725 6.65731 numMergedOcc 0
55 mol 141 unq 2 iso 0 dist 9.97343 9.74444 9.10042 18.8624 12.8394 9.83945 24.9096 17.8444 16.2294 7.42144 numMergedOcc 0
56 mol 141 unq 3 iso 0 dist 9.97343 9.74444 9.10042 18.8624 12.8394 9.83945 24.6931 17.3445 15.9806 6.27658 numMergedOcc 0
57 mol 141 unq 4 iso 0 dist 9.97343 9.74444 9.10042 13.5519 6.59975 6.75376 14.4606 13.5747 6.93828 9.27009 numMergedOcc 0
58 mol 141 unq 5 iso 0 dist 9.70413 10.3716 9.10042 15.4264 12.8394 9.83945 18.3926 17.8444 16.2294 7.42144 numMergedOcc 0
59 mol 141 unq 6 iso 0 dist 9.70413 10.3716 9.10042 15.4264 12.8394 9.83945 19.5854 17.3445 15.9806 6.27658 numMergedOcc 0
60 mol 141 unq 7 iso 0 dist 9.70413 10.3716 9.10042 11.7346 6.59975 6.75376 17.2178 13.5747 6.93828 9.27009 numMergedOcc 0
61 mol 171 unq 0 iso 0 dist 8.1344 5.48551 7.58499 5.93786 3.98338 7.22518 9.35703 13.0134 14.0016 9.34834 numMergedOcc 0
62 mol 171 unq 1 iso 0 dist 8.1344 5.48551 7.58499 5.93786 3.98338 7.22518 9.14311 9.37868 11.4302 5.74846 numMergedOcc 0
63 mol 171 unq 2 iso 0 dist 8.1344 7.9651 8.21618 5.93786 3.98338 5.25109 9.35703 13.0134 10.0655 9.34834 numMergedOcc 0
64 mol 171 unq 3 iso 0 dist 8.1344 7.9651 8.21618 5.93786 3.98338 5.25109 9.14311 9.37868 4.88147 5.74846 numMergedOcc 0
65 mol 171 unq 4 iso 0 dist 6.71356 8.05069 7.58499 8.24693 3.98338 7.22518 14.4375 13.0134 14.0016 9.34834 numMergedOcc 0
66 mol 171 unq 5 iso 0 dist 6.71356 8.05069 7.58499 8.24693 3.98338 7.22518 13.6262 9.37868 11.4302 5.74846 numMergedOcc 0
67 mol 171 unq 6 iso 0 dist 6.71356 12.6853 8.21618 8.24693 3.98338 5.25109 14.4375 13.0134 10.0655 9.34834 numMergedOcc 0
68 mol 171 unq 7 iso 0 dist 6.71356 12.6853 8.21618 8.24693 3.98338 5.25109 13.6262 9.37868 4.88147 5.74846 numMergedOcc 0
69 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.59025 9.87773 8.86197 6.28125 9.06571 5.3698 9.88897 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 6.59025 7.81713 8.86197 6.46704 9.87773 7.32087 6.28125 9.88897 5.3698 9.06571 numMergedOcc 0
71 mol 181 unq 2 iso 0 dist 6.59025 7.81713 8.86197 6.46704 9.87773 7.32087 6.50233 11.6588 6.39406 7.35884 numMergedOcc 0
72 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 12.4952 9.4131 6.38324 11.8031 11.7017 7.41775 9.00322 numMergedOcc 0
73 mol 194 unq 1 iso 0 dist 6.72379 7.11753 6.38324 12.645 9.4131 6.1886 10.463 9.64441 4.002 4.19371 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 6.72379 7.11753 6.38324 12.645 9.4131 6.1886 12.2545 13.1921 7.09553 9.71015 numMergedOcc 0
75 mol 196 unq 0 iso 0 dist 6.70531 4.54749 7.21349 12.1861 15.4429 9.62455 4.53084 10.2274 5.40367 8.48879 numMergedOcc 0
76 mol 196 unq 1 iso 0 dist 6.70531 4.54749 7.21349 12.1861 15.4429 9.62455 11.6015 16.4026 11.2785 5.89591 numMergedOcc 0
77 mol 196 unq 2 iso 0 dist 6.70531 4.54749 7.21349 12.1861 15.4429 9.62455 18.3147 22.5661 17.7382 9.72376 numMergedOcc 0
78 mol 196 unq 3 iso 0 dist 6.86319 10.645 7.21349 14.7256 15.4429 9.62455 11.5807 10.2274 5.40367 8.48879 numMergedOcc 0
79 mol 196 unq 4 iso 0 dist 6.86319 10.645 7.21349 14.7256 15.4429 9.62455 15.2999 16.4026 11.2785 5.89591 numMergedOcc 0
80 mol 196 unq 5 iso 0 dist 6.86319 10.645 7.21349 14.7256 15.4429 9.62455 20.0893 22.5661 17.7382 9.72376 numMergedOcc 0
