0 mol 0 unq 0 iso 0 dist 9.42137 11.6896 9.6994 8.60656 7.40865 9.11323 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 14.5258 7.15528 8.60656 7.40865 9.46298 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 15.8072 8.72114 13.8829 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 4.60206 5.99972 12.0193 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 10.4489 8.53529 4.36226 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 9.91301 8.25051 9.62879 10.4489 7.18019 4.36226 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.96976 6.93532 5.30082 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 5.96976 6.93532 10.4366 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 9.54519 5.80023 7.36323 6.81998 8.75662 6.7828 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 6.11056 10.4744 8.86116 4.04757 8.44664 10.971 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 6.11056 10.4744 8.86116 6.66757 9.44691 13.4893 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 numMergedOcc 0
19 mol 24 unq 10 iso 0 dist 6.11056 6.9756 8.38394 4.04757 8.44664 5.30734 numMergedOcc 0
20 mol 24 unq 11 iso 0 dist 6.11056 6.9756 8.38394 6.66757 9.44691 12.505 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 numMergedOcc 0
23 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 numMergedOcc 0
25 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 4.32173 7.45383 7.33728 numMergedOcc 0
26 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 16.0077 9.01548 13.9331 numMergedOcc 0
27 mol 25 unq 6 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 numMergedOcc 0
28 mol 25 unq 7 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 numMergedOcc 0
29 mol 41 unq 0 iso 0 dist 5.41493 5.09229 6.19529 4.08339 8.51663 8.94326 numMergedOcc 0
30 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 7.13085 8.95682 6.18002 numMergedOcc 0
31 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 7.13085 8.95682 8.38399 numMergedOcc 0
32 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 11.5332 7.21717 15.293 numMergedOcc 0
33 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 11.5332 7.21717 13.86 numMergedOcc 0
34 mol 54 unq 2 iso 0 dist 5.97635 13.2619 8.10861 11.5332 7.21717 5.99981 numMergedOcc 0
35 mol 56 unq 0 iso 0 dist 7.20538 6.93876 8.66265 3.63144 7.16773 6.63327 numMergedOcc 0
36 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.37642 5.93884 5.78774 numMergedOcc 0
37 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.37642 7.68678 5.78774 numMergedOcc 0
38 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 12.7481 9.25641 13.5488 numMergedOcc 0
39 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 3.88757 7.54568 10.2865 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 3.88757 7.54568 8.09967 numMergedOcc 0
41 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 3.88757 7.54568 4.65335 numMergedOcc 0
42 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 numMergedOcc 0
43 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 numMergedOcc 0
44 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 numMergedOcc 0
45 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 numMergedOcc 0
46 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 numMergedOcc 0
47 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 numMergedOcc 0
48 mol 101 unq 0 iso 0 dist 5.22543 4.50603 6.57035 5.08458 6.98314 5.53055 numMergedOcc 0
49 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 4.81814 7.80523 7.74599 numMergedOcc 0
50 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 numMergedOcc 0
51 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 numMergedOcc 0
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53 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 4.01593 9.11344 10.9441 numMergedOcc 0
54 mol 119 unq 2 iso 0 dist 5.63005 10.5268 8.73993 4.01593 6.52773 7.20179 numMergedOcc 0
55 mol 119 unq 3 iso 0 dist 5.63005 10.5268 8.73993 13.1254 9.23858 9.89358 numMergedOcc 0
56 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 4.21285 8.88537 5.0355 numMergedOcc 0
57 mol 122 unq 1 iso 0 dist 6.78949 7.54208 8.37808 6.93382 9.23819 7.39059 numMergedOcc 0
58 mol 122 unq 2 iso 0 dist 9.40018 11.0216 8.37808 9.33734 8.88537 5.0355 numMergedOcc 0
59 mol 122 unq 3 iso 0 dist 9.40018 11.0216 8.37808 4.81033 9.23819 7.39059 numMergedOcc 0
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61 mol 129 unq 1 iso 0 dist 6.38163 8.61575 9.61051 4.92611 7.58957 5.68211 numMergedOcc 0
62 mol 129 unq 2 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 numMergedOcc 0
63 mol 129 unq 3 iso 0 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 numMergedOcc 0
64 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 11.127 9.90168 7.7567 numMergedOcc 0
65 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 11.127 9.90168 8.23791 numMergedOcc 0
66 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 numMergedOcc 0
67 mol 131 unq 3 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 numMergedOcc 0
68 mol 131 unq 4 iso 0 dist 7.81337 11.4498 6.85062 11.6607 9.25558 5.09131 numMergedOcc 0
69 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 11.5759 6.66772 7.12976 numMergedOcc 0
70 mol 133 unq 1 iso 0 dist 9.3894 13.0836 9.52634 11.5759 6.66772 4.34568 numMergedOcc 0
71 mol 133 unq 2 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 numMergedOcc 0
72 mol 133 unq 3 iso 0 dist 9.50322 5.37072 7.11802 10.2948 9.22661 5.92062 numMergedOcc 0
73 mol 133 unq 4 iso 0 dist 9.50322 5.37072 7.11802 11.6924 7.56378 6.61891 numMergedOcc 0
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75 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 11.347 8.91301 5.20762 numMergedOcc 0
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77 mol 180 unq 1 iso 0 dist 5.77949 6.91082 9.62337 5.62869 5.85827 8.78204 numMergedOcc 0
78 mol 180 unq 2 iso 0 dist 8.68403 10.1423 9.62337 8.39191 5.85827 8.78204 numMergedOcc 0
79 mol 180 unq 3 iso 0 dist 5.80441 9.82186 9.62337 4.11186 5.85827 8.78204 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.78739 5.94469 7.77758 numMergedOcc 0
81 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 numMergedOcc 0
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85 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 3.99238 6.03688 12.4957 numMergedOcc 0
86 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 3.99238 6.03688 6.09749 numMergedOcc 0
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88 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 9.89331 7.33701 4.40897 numMergedOcc 0
89 mol 206 unq 2 iso 0 dist 9.36079 13.6173 7.7366 8.83984 8.0871 7.62219 numMergedOcc 0
90 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 8.16827 6.16414 6.45859 numMergedOcc 0
91 mol 206 unq 4 iso 0 dist 7.42904 9.96254 7.7366 6.06766 7.33701 4.40897 numMergedOcc 0
92 mol 206 unq 5 iso 0 dist 7.42904 9.96254 7.7366 5.82916 8.0871 7.62219 numMergedOcc 0
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96 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 4.05539 9.82371 15.7504 numMergedOcc 0
97 mol 222 unq 4 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 numMergedOcc 0
98 mol 222 unq 5 iso 0 dist 9.55777 16.4881 7.21333 4.05539 9.82371 16.0949 numMergedOcc 0
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103 mol 234 unq 1 iso 0 dist 7.46434 13.0285 8.41436 11.1213 7.32499 10.7902 numMergedOcc 0
104 mol 234 unq 2 iso 0 dist 7.46434 13.9912 8.92474 6.06471 6.30154 10.9712 numMergedOcc 0
105 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 11.1213 7.32499 4.4288 numMergedOcc 0
106 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 11.2248 6.30154 7.44558 numMergedOcc 0
107 mol 234 unq 5 iso 0 dist 7.50424 6.88707 8.41436 10.6488 7.32499 10.7902 numMergedOcc 0
108 mol 234 unq 6 iso 0 dist 7.50424 8.96936 8.92474 11.2248 6.30154 10.9712 numMergedOcc 0
109 mol 234 unq 7 iso 0 dist 7.50424 8.96936 8.92474 10.6488 7.32499 4.4288 numMergedOcc 0
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111 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 13.0408 9.55668 7.60081 numMergedOcc 0
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115 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 4.20164 5.48118 7.04666 numMergedOcc 0
116 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 5.93404 5.48118 10.7772 numMergedOcc 0
117 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 5.93404 5.48118 7.04666 numMergedOcc 0
118 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 5.61261 7.98231 8.41846 numMergedOcc 0
119 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 5.61261 7.98231 8.81835 numMergedOcc 0
120 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 8.74892 7.08526 8.81835 numMergedOcc 0
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122 mol 264 unq 1 iso 0 dist 8.43858 8.55312 6.24356 4.29482 7.16853 5.00209 numMergedOcc 0
123 mol 264 unq 2 iso 0 dist 8.19504 3.93713 6.24356 7.28197 5.93616 7.52936 numMergedOcc 0
124 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 numMergedOcc 0
125 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 11.6878 7.07965 10.8848 numMergedOcc 0
126 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 8.46139 7.07965 10.8848 numMergedOcc 0
