0 mol 18 unq 0 iso 0 dist 6.79099 13.4014 9.51761 5.27833 7.3094 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.79099 5.27833 7.3094 13.4014 9.51761 9.70492 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 12.092 6.20293 5.06502 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.16827 12.092 6.20293 7.23774 5.73819 5.06502 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.16827 7.23774 5.73819 10.7423 8.93915 5.89973 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 9.16827 10.7423 8.93915 7.23774 5.73819 5.89973 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.7423 8.93915 6.45462 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 9.16827 10.7423 8.93915 12.092 6.20293 6.45462 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 13.3091 7.34143 9.162 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 7.47417 8.90624 9.80098 13.0115 7.34143 9.162 numMergedOcc 0
11 mol 52 unq 1 iso 1 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 6.43082 6.83299 5.08001 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 7.51978 6.43082 6.83299 10.6355 9.5589 5.08001 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 7.51978 10.6355 9.5589 11.7347 8.10861 16.3192 numMergedOcc 0
15 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 10.6355 9.5589 16.3192 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 11.7347 8.10861 14.2075 numMergedOcc 0
17 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 6.43082 6.83299 14.2075 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 4.98107 9.4099 6.47414 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 7.15486 4.98107 9.4099 6.58144 6.64012 6.47414 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 8.52969 11.6772 6.81627 9.0406 7.32874 5.47421 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 8.52969 11.6772 6.81627 4.98107 9.55426 9.7274 numMergedOcc 0
23 mol 58 unq 2 iso 1 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 numMergedOcc 0
25 mol 58 unq 2 iso 1 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 11.7065 7.71095 10.0246 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 numMergedOcc 0
28 mol 59 unq 1 iso 0 dist 8.97292 7.2878 6.85766 14.1347 7.71095 10.0246 numMergedOcc 0
29 mol 59 unq 1 iso 1 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 6.20561 6.82344 8.95922 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 5.89394 6.20561 6.82344 6.80709 7.4729 8.95922 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 numMergedOcc 0
35 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 numMergedOcc 0
38 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 numMergedOcc 0
39 mol 100 unq 2 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 numMergedOcc 0
41 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 numMergedOcc 0
43 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 numMergedOcc 0
44 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 9.7695 7.45389 7.05226 numMergedOcc 0
45 mol 112 unq 0 iso 1 dist 7.65229 9.7695 7.45389 5.43987 9.60462 7.05226 numMergedOcc 0
46 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 9.3855 7.90328 13.1058 numMergedOcc 0
47 mol 117 unq 0 iso 1 dist 9.41387 9.3855 7.90328 6.54872 9.84395 13.1058 numMergedOcc 0
48 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 6.02237 9.30299 7.30196 numMergedOcc 0
49 mol 127 unq 0 iso 1 dist 9.79448 6.02237 9.30299 7.78467 8.14887 7.30196 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.1323 7.652 7.42466 numMergedOcc 0
53 mol 175 unq 0 iso 1 dist 8.50904 10.1323 7.652 8.09861 9.0018 7.42466 numMergedOcc 0
54 mol 175 unq 1 iso 0 dist 7.04318 8.09861 5.6234 10.1323 9.92231 7.42466 numMergedOcc 0
55 mol 175 unq 1 iso 1 dist 7.04318 10.1323 9.92231 8.09861 5.6234 7.42466 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 numMergedOcc 0
57 mol 181 unq 0 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 numMergedOcc 0
59 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 numMergedOcc 0
60 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 numMergedOcc 0
61 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 numMergedOcc 0
62 mol 186 unq 0 iso 0 dist 8.03567 8.18892 9.70748 8.339 7.54065 13.8792 numMergedOcc 0
63 mol 186 unq 0 iso 1 dist 8.03567 8.339 7.54065 8.18892 9.70748 13.8792 numMergedOcc 0
64 mol 186 unq 1 iso 0 dist 8.03567 8.18892 9.70748 12.2966 8.87694 14.9058 numMergedOcc 0
65 mol 186 unq 1 iso 1 dist 8.03567 12.2966 8.87694 8.18892 9.70748 14.9058 numMergedOcc 0
66 mol 186 unq 1 iso 0 dist 8.03567 8.339 7.54065 12.2966 8.87694 5.74635 numMergedOcc 0
67 mol 186 unq 1 iso 1 dist 8.03567 12.2966 8.87694 8.339 7.54065 5.74635 numMergedOcc 0
68 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 numMergedOcc 0
69 mol 192 unq 0 iso 1 dist 9.05666 10.8223 7.00794 5.64431 5.59424 5.76246 numMergedOcc 0
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71 mol 204 unq 0 iso 1 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 numMergedOcc 0
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75 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 4.87114 6.03031 8.18714 numMergedOcc 0
76 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 numMergedOcc 0
77 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 9.43922 7.26832 13.8543 numMergedOcc 0
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79 mol 206 unq 0 iso 1 dist 8.59262 13.472 9.774 4.38308 8.02137 10.4 numMergedOcc 0
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81 mol 214 unq 0 iso 1 dist 6.83122 12.2622 7.14453 9.3424 9.65138 9.10746 numMergedOcc 0
82 mol 214 unq 1 iso 0 dist 6.83122 9.3424 9.65138 6.75833 8.85478 4.40923 numMergedOcc 0
83 mol 214 unq 1 iso 1 dist 6.83122 6.75833 8.85478 9.3424 9.65138 4.40923 numMergedOcc 0
84 mol 214 unq 1 iso 0 dist 6.83122 12.2622 7.14453 6.75833 8.85478 11.3796 numMergedOcc 0
85 mol 214 unq 1 iso 1 dist 6.83122 6.75833 8.85478 12.2622 7.14453 11.3796 numMergedOcc 0
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89 mol 231 unq 0 iso 1 dist 8.17766 12.5238 8.40182 11.3675 7.37839 4.06055 numMergedOcc 0
90 mol 231 unq 1 iso 0 dist 9.84965 14.0116 7.37839 16.7305 8.40182 4.06055 numMergedOcc 0
91 mol 231 unq 1 iso 1 dist 9.84965 16.7305 8.40182 14.0116 7.37839 4.06055 numMergedOcc 0
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95 mol 249 unq 0 iso 1 dist 6.42827 6.77698 6.18582 8.22485 7.57994 5.01979 numMergedOcc 0
96 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 16.8096 9.2288 8.41807 numMergedOcc 0
97 mol 252 unq 0 iso 1 dist 9.78185 16.8096 9.2288 17.5012 8.33025 8.41807 numMergedOcc 0
98 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 6.79692 7.19638 14.9102 numMergedOcc 0
99 mol 252 unq 1 iso 1 dist 9.78185 6.79692 7.19638 17.5012 8.33025 14.9102 numMergedOcc 0
100 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 6.79692 7.19638 11.7918 numMergedOcc 0
101 mol 252 unq 1 iso 1 dist 9.78185 6.79692 7.19638 16.8096 9.2288 11.7918 numMergedOcc 0
102 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 13.8605 7.88519 4.69778 numMergedOcc 0
103 mol 259 unq 0 iso 1 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 numMergedOcc 0
104 mol 261 unq 0 iso 0 dist 7.26647 4.95196 7.73141 9.29412 8.43057 10.1239 numMergedOcc 0
105 mol 261 unq 0 iso 1 dist 7.26647 9.29412 8.43057 4.95196 7.73141 10.1239 numMergedOcc 0
106 mol 272 unq 0 iso 0 dist 7.66615 11.4664 9.97651 10.3544 8.46116 8.12676 numMergedOcc 0
107 mol 272 unq 0 iso 1 dist 7.66615 10.3544 8.46116 11.4664 9.97651 8.12676 numMergedOcc 0
