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2 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 6.88805 5.99459 10.3333 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.10621 8.72114 13.8829 11.143 7.67927 16.0449 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 8.69454 8.55451 14.126 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 5.84314 5.8245 10.9352 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 4.10106 6.54358 6.859 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 numMergedOcc 0
9 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 numMergedOcc 0
10 mol 16 unq 2 iso 0 dist 5.05803 6.93532 5.30082 4.65873 6.57331 10.0132 numMergedOcc 0
11 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 5.69214 7.95042 10.8435 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 8.86116 8.44664 10.971 5.11636 7.95042 12.8213 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 5.11636 7.95042 11.7489 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 numMergedOcc 0
21 mol 24 unq 9 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 numMergedOcc 0
22 mol 24 unq 10 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 numMergedOcc 0
23 mol 24 unq 11 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 numMergedOcc 0
24 mol 24 unq 12 iso 0 dist 5.54419 8.75662 10.8238 4.82629 6.6219 13.0711 numMergedOcc 0
25 mol 24 unq 13 iso 0 dist 5.54419 8.75662 10.8238 10.1698 5.68215 15.3807 numMergedOcc 0
26 mol 24 unq 14 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 numMergedOcc 0
27 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 numMergedOcc 0
28 mol 24 unq 16 iso 0 dist 7.36323 8.23446 6.38336 6.28159 8.87744 4.5711 numMergedOcc 0
29 mol 24 unq 17 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 numMergedOcc 0
30 mol 24 unq 18 iso 0 dist 7.36323 8.75662 6.7828 6.28159 8.87744 12.6707 numMergedOcc 0
31 mol 24 unq 19 iso 0 dist 7.36323 8.75662 6.7828 5.50396 7.27472 9.586 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 numMergedOcc 0
33 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 6.47509 7.05196 12.506 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 numMergedOcc 0
35 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 numMergedOcc 0
37 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 numMergedOcc 0
38 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 numMergedOcc 0
39 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 numMergedOcc 0
40 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 numMergedOcc 0
41 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 numMergedOcc 0
42 mol 25 unq 10 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 numMergedOcc 0
43 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 numMergedOcc 0
44 mol 25 unq 12 iso 0 dist 6.03987 8.6653 5.82503 4.77954 7.99919 10.4755 numMergedOcc 0
45 mol 25 unq 13 iso 0 dist 6.03987 6.85556 5.68392 5.86705 7.6114 6.29797 numMergedOcc 0
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47 mol 43 unq 1 iso 0 dist 6.20293 8.95682 8.38399 5.41726 6.75943 10.3764 numMergedOcc 0
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49 mol 58 unq 1 iso 0 dist 7.32874 7.21955 7.12541 5.61579 8.69057 10.4354 numMergedOcc 0
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52 mol 58 unq 4 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 numMergedOcc 0
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55 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 13.4212 9.10345 14.0067 numMergedOcc 0
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59 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 numMergedOcc 0
60 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 numMergedOcc 0
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63 mol 92 unq 2 iso 0 dist 9.64443 8.91313 13.3881 5.31547 9.36001 12.273 numMergedOcc 0
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139 mol 259 unq 2 iso 0 dist 7.88519 7.98231 8.81835 8.8603 7.66153 14.6679 numMergedOcc 0
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141 mol 259 unq 4 iso 0 dist 7.46176 7.08526 8.81835 11.8896 7.66153 14.6679 numMergedOcc 0
