0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 18.9985 11.143 7.67927 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 16.4746 12.8323 9.87885 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 6.50001 4.10106 6.54358 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.30877 5.01101 6.42835 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 9.8871 4.65873 6.57331 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 9.8871 4.65873 8.43054 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 14.1706 4.82629 6.6219 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 16.6394 10.1698 5.68215 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 9.49646 6.28159 8.87744 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 6.36381 5.50396 7.27472 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 10.4056 5.11636 7.95042 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 8.6396 5.8503 5.04899 5.77745 6.47509 7.05196 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 8.88413 5.59268 7.17969 8.27137 11.4148 4.79873 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 9.87281 6.17631 7.31767 12.3312 6.10919 7.6114 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 7.63928 6.17631 6.03987 12.3312 5.86705 7.6114 numMergedOcc 0
17 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 12.266 5.41726 6.6263 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.266 5.41726 6.75943 numMergedOcc 0
19 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 13.4674 6.42339 9.33906 numMergedOcc 0
20 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 11.5355 7.31539 6.56212 numMergedOcc 0
21 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 11.9689 7.31539 6.56212 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 10.4457 12.4896 5.75428 numMergedOcc 0
24 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 9.70292 14.2178 8.57395 numMergedOcc 0
25 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 9.59704 8.78079 9.85409 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 numMergedOcc 0
27 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 5.9747 10.4417 6.48948 7.34638 7.03983 7.02507 numMergedOcc 0
29 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 numMergedOcc 0
30 mol 98 unq 4 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 numMergedOcc 0
31 mol 98 unq 5 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 numMergedOcc 0
32 mol 98 unq 6 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 numMergedOcc 0
33 mol 98 unq 7 iso 0 dist 4.50572 9.63267 6.48948 6.0995 7.03983 7.02507 numMergedOcc 0
34 mol 98 unq 8 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 numMergedOcc 0
35 mol 98 unq 9 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 13.543 6.73011 6.29161 numMergedOcc 0
37 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 17.3399 13.0886 7.86666 numMergedOcc 0
38 mol 109 unq 2 iso 0 dist 8.3164 11.5656 8.69985 9.94704 5.00433 8.52024 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.2429 10.3209 7.69765 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 16.2777 15.3161 9.42082 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 5.02717 5.28901 7.30858 6.31773 5.03039 6.04595 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 5.02717 6.75472 5.83991 9.5681 6.01673 6.24825 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 9.47795 6.07067 6.39384 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 16.4805 11.835 7.69765 numMergedOcc 0
45 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 9.47795 6.07067 9.42082 numMergedOcc 0
46 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 9.29473 6.07067 6.39384 numMergedOcc 0
47 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 17.9091 11.835 7.69765 numMergedOcc 0
48 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 9.29473 6.07067 9.42082 numMergedOcc 0
49 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 15.0886 10.5783 6.10127 numMergedOcc 0
50 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 6.78655 3.55765 8.19331 numMergedOcc 0
51 mol 117 unq 2 iso 0 dist 6.90827 4.45276 7.0603 6.78655 3.55765 8.85711 numMergedOcc 0
52 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 18.6425 10.5783 6.10127 numMergedOcc 0
53 mol 117 unq 4 iso 0 dist 8.90977 10.6616 7.83136 9.42037 3.55765 8.19331 numMergedOcc 0
54 mol 117 unq 5 iso 0 dist 8.90977 4.98254 7.0603 9.42037 3.55765 8.85711 numMergedOcc 0
55 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 14.5306 9.00231 5.58833 numMergedOcc 0
56 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 5.82945 4.97996 6.93139 numMergedOcc 0
57 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 9.10434 3.98662 9.27976 numMergedOcc 0
58 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.6383 12.9631 6.89918 numMergedOcc 0
59 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 13.1452 15.0115 8.77023 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.3555 7.41373 9.33094 numMergedOcc 0
61 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 numMergedOcc 0
63 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 12.3555 10.8635 9.33094 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 numMergedOcc 0
65 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 numMergedOcc 0
66 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 8.78303 7.41373 9.33094 numMergedOcc 0
67 mol 134 unq 7 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 numMergedOcc 0
68 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 8.78303 7.41373 8.69531 numMergedOcc 0
69 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 12.027 4.78563 5.37047 numMergedOcc 0
70 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 numMergedOcc 0
71 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 11.756 4.84714 8.9192 numMergedOcc 0
72 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 12.0918 5.39112 6.70693 numMergedOcc 0
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74 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 numMergedOcc 0
75 mol 167 unq 2 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 numMergedOcc 0
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77 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 11.6646 6.35474 5.64942 numMergedOcc 0
78 mol 192 unq 2 iso 0 dist 9.90531 8.43102 5.59424 11.4183 5.25965 7.43054 numMergedOcc 0
79 mol 192 unq 3 iso 0 dist 9.90531 4.96445 7.00794 11.6646 6.35474 6.97962 numMergedOcc 0
80 mol 192 unq 4 iso 0 dist 9.90531 4.96445 7.00794 11.4183 5.25965 6.79229 numMergedOcc 0
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88 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 numMergedOcc 0
89 mol 224 unq 4 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 numMergedOcc 0
90 mol 224 unq 5 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 numMergedOcc 0
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96 mol 236 unq 3 iso 0 dist 6.11137 9.01197 6.27581 14.0625 10.5774 9.3206 numMergedOcc 0
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98 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 numMergedOcc 0
99 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 numMergedOcc 0
100 mol 238 unq 3 iso 0 dist 9.66555 12.2428 6.22714 12.6412 12.7938 9.08509 numMergedOcc 0
101 mol 238 unq 4 iso 0 dist 8.67205 8.66185 6.22714 9.72795 12.7938 9.08509 numMergedOcc 0
102 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 numMergedOcc 0
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104 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 13.9131 8.8603 9.07743 numMergedOcc 0
105 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 14.2921 7.20604 9.63573 numMergedOcc 0
106 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 13.9131 8.8603 7.66153 numMergedOcc 0
107 mol 259 unq 4 iso 0 dist 9.54857 15.3806 7.46176 13.6312 5.21606 9.63573 numMergedOcc 0
108 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 21.0823 11.8896 7.66153 numMergedOcc 0
109 mol 259 unq 6 iso 0 dist 9.12507 5.59901 5.30224 10.7775 4.04513 8.03219 numMergedOcc 0
110 mol 259 unq 7 iso 0 dist 9.12507 5.59901 5.30224 4.95855 7.09907 6.9899 numMergedOcc 0
111 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 5.72473 7.8414 7.20674 numMergedOcc 0
112 mol 292 unq 1 iso 0 dist 9.30668 8.04474 8.2734 12.7549 14.179 8.38121 numMergedOcc 0
