0 mol 0 unq 0 iso 0 dist 9.42137 11.6896 9.6994 14.5258 7.15528 7.19817 8.60656 7.40865 9.11323 9.46298 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.42137 14.5258 7.15528 11.6896 9.6994 7.19817 8.60656 7.40865 9.46298 9.11323 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 5.96976 6.93532 5.30082 10.4366 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 5.96976 6.93532 10.4366 5.30082 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 12.1061 8.4051 5.11617 13.2229 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 12.1061 8.4051 13.2229 5.11617 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 6.53276 8.23446 13.1779 6.38336 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 6.53276 8.23446 6.38336 13.1779 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 6.81998 8.75662 10.8238 6.7828 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 6.81998 8.75662 6.7828 10.8238 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 11.095 8.60554 8.52463 12.3994 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 11.095 8.60554 12.3994 8.52463 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 4.04757 8.44664 10.971 5.30734 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 4.04757 8.44664 5.30734 10.971 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 6.66757 9.44691 13.4893 12.505 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 6.66757 9.44691 12.505 13.4893 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 14.4191 7.17969 4.33106 4.32173 6.16347 9.34396 10.8498 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 4.32173 6.16347 10.8498 9.34396 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 14.4191 7.17969 4.33106 15.9662 7.92503 6.11127 5.30154 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 15.9662 7.92503 5.30154 6.11127 numMergedOcc 0
20 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.8286 6.20293 8.13395 7.13085 8.95682 6.18002 8.38399 numMergedOcc 0
21 mol 43 unq 0 iso 1 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 7.13085 8.95682 8.38399 6.18002 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 6.76462 6.83299 5.08001 11.5332 7.21717 15.293 13.86 numMergedOcc 0
23 mol 54 unq 0 iso 1 dist 5.97635 6.76462 6.83299 10.7219 9.5589 5.08001 11.5332 7.21717 13.86 15.293 numMergedOcc 0
24 mol 54 unq 1 iso 0 dist 5.97635 10.7219 9.5589 13.2619 8.10861 16.3192 11.5332 7.21717 15.293 5.99981 numMergedOcc 0
25 mol 54 unq 1 iso 1 dist 5.97635 13.2619 8.10861 10.7219 9.5589 16.3192 11.5332 7.21717 5.99981 15.293 numMergedOcc 0
26 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 13.2619 8.10861 14.2075 11.5332 7.21717 13.86 5.99981 numMergedOcc 0
27 mol 54 unq 1 iso 1 dist 5.97635 13.2619 8.10861 6.76462 6.83299 14.2075 11.5332 7.21717 5.99981 13.86 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 9.21014 6.19965 4.26409 3.88757 7.54568 10.2865 8.09967 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 3.88757 7.54568 8.09967 10.2865 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.58793 10.1919 7.95579 7.83419 7.66905 10.7229 3.88757 7.54568 10.2865 4.65335 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 3.88757 7.54568 4.65335 10.2865 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 3.88757 7.54568 8.09967 4.65335 numMergedOcc 0
33 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 3.88757 7.54568 4.65335 8.09967 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.4417 6.48948 9.51923 7.43001 6.65501 4.4057 7.42446 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 7.43001 6.65501 7.42446 4.4057 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 11.3628 6.10456 8.40073 7.43001 6.65501 4.4057 9.67482 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 7.43001 6.65501 9.67482 4.4057 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 7.43001 6.65501 7.42446 9.67482 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 7.43001 6.65501 9.67482 7.42446 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 4.50572 6.88489 5.08437 9.63267 6.48948 9.51923 9.5305 6.65501 4.4057 7.42446 numMergedOcc 0
41 mol 98 unq 2 iso 1 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 9.5305 6.65501 7.42446 4.4057 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.82583 6.10456 8.40073 9.5305 6.65501 4.4057 9.67482 numMergedOcc 0
43 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 9.5305 6.65501 9.67482 4.4057 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 9.5305 6.65501 7.42446 9.67482 numMergedOcc 0
45 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 9.5305 6.65501 9.67482 7.42446 numMergedOcc 0
46 mol 129 unq 0 iso 0 dist 6.38163 8.61575 9.61051 10.0961 5.83384 9.05135 7.03404 6.28565 6.30169 4.55551 numMergedOcc 0
47 mol 129 unq 0 iso 1 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 7.03404 6.28565 4.55551 6.30169 numMergedOcc 0
48 mol 129 unq 1 iso 0 dist 6.38163 8.61575 9.61051 10.0961 5.83384 9.05135 4.92611 7.58957 5.68211 10.5488 numMergedOcc 0
49 mol 129 unq 1 iso 1 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 4.92611 7.58957 10.5488 5.68211 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 4.29914 7.12972 5.55373 11.127 9.90168 7.7567 8.23791 numMergedOcc 0
51 mol 131 unq 0 iso 1 dist 6.31125 4.29914 7.12972 5.6098 8.40312 5.55373 11.127 9.90168 8.23791 7.7567 numMergedOcc 0
52 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 5.59449 6.85062 10.7062 11.127 9.90168 7.7567 13.7237 numMergedOcc 0
53 mol 131 unq 1 iso 1 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 11.127 9.90168 13.7237 7.7567 numMergedOcc 0
54 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 5.59449 6.85062 6.63273 11.127 9.90168 8.23791 13.7237 numMergedOcc 0
55 mol 131 unq 1 iso 1 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 11.127 9.90168 13.7237 8.23791 numMergedOcc 0
56 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 13.0836 9.52634 9.56949 11.5759 6.66772 7.12976 4.34568 numMergedOcc 0
57 mol 133 unq 0 iso 1 dist 9.3894 13.0836 9.52634 4.84607 6.5107 9.56949 11.5759 6.66772 4.34568 7.12976 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 6.78739 5.94469 7.77758 12.5387 numMergedOcc 0
59 mol 181 unq 0 iso 1 dist 9.84952 12.9554 7.63312 4.3158 7.81386 8.85576 6.78739 5.94469 12.5387 7.77758 numMergedOcc 0
60 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.0516 8.77999 8.49529 11.7523 numMergedOcc 0
61 mol 192 unq 0 iso 1 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.0516 8.77999 11.7523 8.49529 numMergedOcc 0
62 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.7091 7.26832 7.38516 3.99238 6.03688 8.15057 12.4957 numMergedOcc 0
63 mol 205 unq 0 iso 1 dist 5.96555 10.7091 7.26832 4.6995 6.03031 7.38516 3.99238 6.03688 12.4957 8.15057 numMergedOcc 0
64 mol 205 unq 1 iso 0 dist 5.96555 4.6995 6.03031 5.87892 7.80463 8.18714 3.99238 6.03688 8.15057 6.09749 numMergedOcc 0
65 mol 205 unq 1 iso 1 dist 5.96555 5.87892 7.80463 4.6995 6.03031 8.18714 3.99238 6.03688 6.09749 8.15057 numMergedOcc 0
66 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 5.87892 7.80463 13.8543 3.99238 6.03688 12.4957 6.09749 numMergedOcc 0
67 mol 205 unq 1 iso 1 dist 5.96555 5.87892 7.80463 10.7091 7.26832 13.8543 3.99238 6.03688 6.09749 12.4957 numMergedOcc 0
68 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 15.3892 7.7699 10.4579 12.979 7.67576 10.3151 7.81022 numMergedOcc 0
69 mol 222 unq 0 iso 1 dist 9.55777 15.3892 7.7699 6.54251 8.01589 10.4579 12.979 7.67576 7.81022 10.3151 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 15.3892 7.7699 10.4579 4.05539 9.82371 8.52017 15.7504 numMergedOcc 0
71 mol 222 unq 1 iso 1 dist 9.55777 15.3892 7.7699 6.54251 8.01589 10.4579 4.05539 9.82371 15.7504 8.52017 numMergedOcc 0
72 mol 222 unq 2 iso 0 dist 9.55777 6.54251 8.01589 16.4881 7.21333 13.3522 12.979 7.67576 10.3151 7.75656 numMergedOcc 0
73 mol 222 unq 2 iso 1 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 12.979 7.67576 7.75656 10.3151 numMergedOcc 0
74 mol 222 unq 3 iso 0 dist 9.55777 6.54251 8.01589 16.4881 7.21333 13.3522 4.05539 9.82371 8.52017 16.0949 numMergedOcc 0
75 mol 222 unq 3 iso 1 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 4.05539 9.82371 16.0949 8.52017 numMergedOcc 0
76 mol 222 unq 2 iso 0 dist 9.55777 15.3892 7.7699 16.4881 7.21333 5.24516 12.979 7.67576 7.81022 7.75656 numMergedOcc 0
77 mol 222 unq 2 iso 1 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 12.979 7.67576 7.75656 7.81022 numMergedOcc 0
78 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 16.4881 7.21333 5.24516 4.05539 9.82371 15.7504 16.0949 numMergedOcc 0
79 mol 222 unq 3 iso 1 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 4.05539 9.82371 16.0949 15.7504 numMergedOcc 0
80 mol 234 unq 0 iso 0 dist 7.46434 13.0285 8.41436 13.9912 8.92474 8.62358 6.06471 6.30154 7.44558 10.9712 numMergedOcc 0
81 mol 234 unq 0 iso 1 dist 7.46434 13.9912 8.92474 13.0285 8.41436 8.62358 6.06471 6.30154 10.9712 7.44558 numMergedOcc 0
82 mol 234 unq 1 iso 0 dist 7.46434 13.0285 8.41436 13.9912 8.92474 8.62358 11.1213 7.32499 10.7902 4.4288 numMergedOcc 0
83 mol 234 unq 1 iso 1 dist 7.46434 13.9912 8.92474 13.0285 8.41436 8.62358 11.1213 7.32499 4.4288 10.7902 numMergedOcc 0
84 mol 234 unq 2 iso 0 dist 7.50424 6.88707 8.41436 8.96936 8.92474 8.62358 11.2248 6.30154 7.44558 10.9712 numMergedOcc 0
85 mol 234 unq 2 iso 1 dist 7.50424 8.96936 8.92474 6.88707 8.41436 8.62358 11.2248 6.30154 10.9712 7.44558 numMergedOcc 0
86 mol 234 unq 3 iso 0 dist 7.50424 6.88707 8.41436 8.96936 8.92474 8.62358 10.6488 7.32499 10.7902 4.4288 numMergedOcc 0
87 mol 234 unq 3 iso 1 dist 7.50424 8.96936 8.92474 6.88707 8.41436 8.62358 10.6488 7.32499 4.4288 10.7902 numMergedOcc 0
88 mol 249 unq 0 iso 0 dist 6.37672 9.07501 7.57994 4.24014 6.18582 5.01979 4.20164 5.48118 10.7772 7.04666 numMergedOcc 0
89 mol 249 unq 0 iso 1 dist 6.37672 4.24014 6.18582 9.07501 7.57994 5.01979 4.20164 5.48118 7.04666 10.7772 numMergedOcc 0
90 mol 249 unq 1 iso 0 dist 8.94023 9.53929 7.57994 5.36989 6.18582 5.01979 5.93404 5.48118 10.7772 7.04666 numMergedOcc 0
91 mol 249 unq 1 iso 1 dist 8.94023 5.36989 6.18582 9.53929 7.57994 5.01979 5.93404 5.48118 7.04666 10.7772 numMergedOcc 0
92 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 5.61261 7.98231 8.41846 8.81835 numMergedOcc 0
93 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 5.61261 7.98231 8.81835 8.41846 numMergedOcc 0
94 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 8.55312 6.24356 10.3202 4.29482 7.16853 11.1431 5.00209 numMergedOcc 0
95 mol 264 unq 0 iso 1 dist 8.43858 8.55312 6.24356 10.2215 9.361 10.3202 4.29482 7.16853 5.00209 11.1431 numMergedOcc 0
