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1 mol 65 unq 0 iso 1 dist 9.62658 4.82528 9.83239 10.3234 5.69971 9.20128 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 9.62658 10.3234 5.69971 10.8229 8.37515 10.2941 numMergedOcc 0
3 mol 65 unq 1 iso 1 dist 9.62658 10.8229 8.37515 10.3234 5.69971 10.2941 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.62658 4.82528 9.83239 10.8229 8.37515 8.06868 numMergedOcc 0
5 mol 65 unq 1 iso 1 dist 9.62658 10.8229 8.37515 4.82528 9.83239 8.06868 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.04916 9.12104 8.16733 13.3759 9.97569 7.49897 numMergedOcc 0
7 mol 94 unq 0 iso 1 dist 8.04916 13.3759 9.97569 9.12104 8.16733 7.49897 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.98059 9.83687 5.88354 11.0059 7.89665 4.50554 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 6.98059 11.0059 7.89665 9.83687 5.88354 4.50554 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 6.98059 9.83687 5.88354 12.2571 5.39354 7.40461 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 6.98059 12.2571 5.39354 9.83687 5.88354 7.40461 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.98059 9.83687 5.88354 12.0258 5.74854 7.72877 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 6.98059 12.0258 5.74854 9.83687 5.88354 7.72877 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.98059 9.83687 5.88354 12.8848 8.76566 10.51 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 6.98059 12.8848 8.76566 9.83687 5.88354 10.51 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 6.98059 9.83687 5.88354 12.3945 8.8368 13.5683 numMergedOcc 0
17 mol 98 unq 4 iso 1 dist 6.98059 12.3945 8.8368 9.83687 5.88354 13.5683 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.98059 11.0059 7.89665 12.2571 5.39354 8.49023 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.98059 12.2571 5.39354 11.0059 7.89665 8.49023 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.98059 11.0059 7.89665 12.0258 5.74854 11.0242 numMergedOcc 0
21 mol 98 unq 2 iso 1 dist 6.98059 12.0258 5.74854 11.0059 7.89665 11.0242 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.98059 11.0059 7.89665 12.8848 8.76566 8.16331 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 6.98059 12.8848 8.76566 11.0059 7.89665 8.16331 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 6.98059 11.0059 7.89665 12.3945 8.8368 13.0697 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 6.98059 12.3945 8.8368 11.0059 7.89665 13.0697 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.98059 12.2571 5.39354 12.0258 5.74854 5.09649 numMergedOcc 0
27 mol 98 unq 2 iso 1 dist 6.98059 12.0258 5.74854 12.2571 5.39354 5.09649 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 6.98059 12.2571 5.39354 12.8848 8.76566 7.17023 numMergedOcc 0
29 mol 98 unq 3 iso 1 dist 6.98059 12.8848 8.76566 12.2571 5.39354 7.17023 numMergedOcc 0
30 mol 98 unq 4 iso 0 dist 6.98059 12.2571 5.39354 12.3945 8.8368 8.31884 numMergedOcc 0
31 mol 98 unq 4 iso 1 dist 6.98059 12.3945 8.8368 12.2571 5.39354 8.31884 numMergedOcc 0
32 mol 98 unq 3 iso 0 dist 6.98059 12.0258 5.74854 12.8848 8.76566 11.9511 numMergedOcc 0
33 mol 98 unq 3 iso 1 dist 6.98059 12.8848 8.76566 12.0258 5.74854 11.9511 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 6.98059 12.0258 5.74854 12.3945 8.8368 11.569 numMergedOcc 0
35 mol 98 unq 4 iso 1 dist 6.98059 12.3945 8.8368 12.0258 5.74854 11.569 numMergedOcc 0
36 mol 98 unq 4 iso 0 dist 6.98059 12.8848 8.76566 12.3945 8.8368 6.66172 numMergedOcc 0
37 mol 98 unq 4 iso 1 dist 6.98059 12.3945 8.8368 12.8848 8.76566 6.66172 numMergedOcc 0
38 mol 98 unq 5 iso 0 dist 5.63127 10.6448 5.88354 13.4221 7.89665 4.50554 numMergedOcc 0
39 mol 98 unq 5 iso 1 dist 5.63127 13.4221 7.89665 10.6448 5.88354 4.50554 numMergedOcc 0
40 mol 98 unq 6 iso 0 dist 5.63127 10.6448 5.88354 7.96856 5.39354 7.40461 numMergedOcc 0
41 mol 98 unq 6 iso 1 dist 5.63127 7.96856 5.39354 10.6448 5.88354 7.40461 numMergedOcc 0
42 mol 98 unq 7 iso 0 dist 5.63127 10.6448 5.88354 5.58126 5.74854 7.72877 numMergedOcc 0
43 mol 98 unq 7 iso 1 dist 5.63127 5.58126 5.74854 10.6448 5.88354 7.72877 numMergedOcc 0
44 mol 98 unq 8 iso 0 dist 5.63127 10.6448 5.88354 12.7489 8.76566 10.51 numMergedOcc 0
45 mol 98 unq 8 iso 1 dist 5.63127 12.7489 8.76566 10.6448 5.88354 10.51 numMergedOcc 0
46 mol 98 unq 9 iso 0 dist 5.63127 10.6448 5.88354 9.77595 8.8368 13.5683 numMergedOcc 0
47 mol 98 unq 9 iso 1 dist 5.63127 9.77595 8.8368 10.6448 5.88354 13.5683 numMergedOcc 0
48 mol 98 unq 6 iso 0 dist 5.63127 13.4221 7.89665 7.96856 5.39354 8.49023 numMergedOcc 0
49 mol 98 unq 6 iso 1 dist 5.63127 7.96856 5.39354 13.4221 7.89665 8.49023 numMergedOcc 0
50 mol 98 unq 7 iso 0 dist 5.63127 13.4221 7.89665 5.58126 5.74854 11.0242 numMergedOcc 0
51 mol 98 unq 7 iso 1 dist 5.63127 5.58126 5.74854 13.4221 7.89665 11.0242 numMergedOcc 0
52 mol 98 unq 8 iso 0 dist 5.63127 13.4221 7.89665 12.7489 8.76566 8.16331 numMergedOcc 0
53 mol 98 unq 8 iso 1 dist 5.63127 12.7489 8.76566 13.4221 7.89665 8.16331 numMergedOcc 0
54 mol 98 unq 9 iso 0 dist 5.63127 13.4221 7.89665 9.77595 8.8368 13.0697 numMergedOcc 0
55 mol 98 unq 9 iso 1 dist 5.63127 9.77595 8.8368 13.4221 7.89665 13.0697 numMergedOcc 0
56 mol 98 unq 7 iso 0 dist 5.63127 7.96856 5.39354 5.58126 5.74854 5.09649 numMergedOcc 0
57 mol 98 unq 7 iso 1 dist 5.63127 5.58126 5.74854 7.96856 5.39354 5.09649 numMergedOcc 0
58 mol 98 unq 8 iso 0 dist 5.63127 7.96856 5.39354 12.7489 8.76566 7.17023 numMergedOcc 0
59 mol 98 unq 8 iso 1 dist 5.63127 12.7489 8.76566 7.96856 5.39354 7.17023 numMergedOcc 0
60 mol 98 unq 9 iso 0 dist 5.63127 7.96856 5.39354 9.77595 8.8368 8.31884 numMergedOcc 0
61 mol 98 unq 9 iso 1 dist 5.63127 9.77595 8.8368 7.96856 5.39354 8.31884 numMergedOcc 0
62 mol 98 unq 8 iso 0 dist 5.63127 5.58126 5.74854 12.7489 8.76566 11.9511 numMergedOcc 0
63 mol 98 unq 8 iso 1 dist 5.63127 12.7489 8.76566 5.58126 5.74854 11.9511 numMergedOcc 0
64 mol 98 unq 9 iso 0 dist 5.63127 5.58126 5.74854 9.77595 8.8368 11.569 numMergedOcc 0
65 mol 98 unq 9 iso 1 dist 5.63127 9.77595 8.8368 5.58126 5.74854 11.569 numMergedOcc 0
66 mol 98 unq 9 iso 0 dist 5.63127 12.7489 8.76566 9.77595 8.8368 6.66172 numMergedOcc 0
67 mol 98 unq 9 iso 1 dist 5.63127 9.77595 8.8368 12.7489 8.76566 6.66172 numMergedOcc 0
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69 mol 134 unq 0 iso 1 dist 5.10248 11.4517 8.20836 8.04019 7.36779 5.62899 numMergedOcc 0
70 mol 186 unq 0 iso 0 dist 9.12102 6.15341 7.20574 9.77429 6.85302 5.74635 numMergedOcc 0
71 mol 186 unq 0 iso 1 dist 9.12102 9.77429 6.85302 6.15341 7.20574 5.74635 numMergedOcc 0
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73 mol 194 unq 0 iso 1 dist 8.26119 13.2099 8.12346 5.69334 6.26839 8.0179 numMergedOcc 0
74 mol 194 unq 1 iso 0 dist 8.26119 5.69334 6.26839 16.2258 8.83356 14.6506 numMergedOcc 0
75 mol 194 unq 1 iso 1 dist 8.26119 16.2258 8.83356 5.69334 6.26839 14.6506 numMergedOcc 0
76 mol 194 unq 2 iso 0 dist 8.26119 5.69334 6.26839 13.4175 8.2654 8.48054 numMergedOcc 0
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78 mol 194 unq 1 iso 0 dist 8.26119 13.2099 8.12346 16.2258 8.83356 13.5632 numMergedOcc 0
79 mol 194 unq 1 iso 1 dist 8.26119 16.2258 8.83356 13.2099 8.12346 13.5632 numMergedOcc 0
80 mol 194 unq 2 iso 0 dist 8.26119 13.2099 8.12346 13.4175 8.2654 6.26298 numMergedOcc 0
81 mol 194 unq 2 iso 1 dist 8.26119 13.4175 8.2654 13.2099 8.12346 6.26298 numMergedOcc 0
82 mol 194 unq 2 iso 0 dist 8.26119 16.2258 8.83356 13.4175 8.2654 11.6097 numMergedOcc 0
83 mol 194 unq 2 iso 1 dist 8.26119 13.4175 8.2654 16.2258 8.83356 11.6097 numMergedOcc 0
84 mol 194 unq 3 iso 0 dist 9.10338 13.5654 6.26839 10.2888 8.12346 8.0179 numMergedOcc 0
85 mol 194 unq 3 iso 1 dist 9.10338 10.2888 8.12346 13.5654 6.26839 8.0179 numMergedOcc 0
86 mol 194 unq 4 iso 0 dist 9.10338 13.5654 6.26839 11.1617 8.83356 14.6506 numMergedOcc 0
87 mol 194 unq 4 iso 1 dist 9.10338 11.1617 8.83356 13.5654 6.26839 14.6506 numMergedOcc 0
88 mol 194 unq 5 iso 0 dist 9.10338 13.5654 6.26839 13.9257 8.2654 8.48054 numMergedOcc 0
89 mol 194 unq 5 iso 1 dist 9.10338 13.9257 8.2654 13.5654 6.26839 8.48054 numMergedOcc 0
90 mol 194 unq 4 iso 0 dist 9.10338 10.2888 8.12346 11.1617 8.83356 13.5632 numMergedOcc 0
91 mol 194 unq 4 iso 1 dist 9.10338 11.1617 8.83356 10.2888 8.12346 13.5632 numMergedOcc 0
92 mol 194 unq 5 iso 0 dist 9.10338 10.2888 8.12346 13.9257 8.2654 6.26298 numMergedOcc 0
93 mol 194 unq 5 iso 1 dist 9.10338 13.9257 8.2654 10.2888 8.12346 6.26298 numMergedOcc 0
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95 mol 194 unq 5 iso 1 dist 9.10338 13.9257 8.2654 11.1617 8.83356 11.6097 numMergedOcc 0
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99 mol 214 unq 0 iso 1 dist 8.08402 15.511 8.46327 4.71355 7.05523 12.7897 numMergedOcc 0
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101 mol 229 unq 0 iso 1 dist 5.67652 9.93388 8.08082 12.61 8.92743 6.94172 numMergedOcc 0
102 mol 229 unq 1 iso 0 dist 5.67652 12.61 8.92743 6.23286 5.77318 7.0298 numMergedOcc 0
103 mol 229 unq 1 iso 1 dist 5.67652 6.23286 5.77318 12.61 8.92743 7.0298 numMergedOcc 0
104 mol 229 unq 2 iso 0 dist 5.67652 12.61 8.92743 5.132 8.19603 15.7694 numMergedOcc 0
105 mol 229 unq 2 iso 1 dist 5.67652 5.132 8.19603 12.61 8.92743 15.7694 numMergedOcc 0
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107 mol 229 unq 1 iso 1 dist 5.67652 6.23286 5.77318 9.93388 8.08082 5.5729 numMergedOcc 0
108 mol 229 unq 2 iso 0 dist 5.67652 9.93388 8.08082 5.132 8.19603 11.3041 numMergedOcc 0
109 mol 229 unq 2 iso 1 dist 5.67652 5.132 8.19603 9.93388 8.08082 11.3041 numMergedOcc 0
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111 mol 229 unq 2 iso 1 dist 5.67652 5.132 8.19603 6.23286 5.77318 9.96077 numMergedOcc 0
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115 mol 234 unq 1 iso 1 dist 8.23512 4.94699 7.5366 8.29891 7.56091 9.82284 numMergedOcc 0
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122 mol 264 unq 1 iso 0 dist 9.84667 9.54944 6.04162 12.533 6.14323 4.92077 numMergedOcc 0
123 mol 264 unq 1 iso 1 dist 9.84667 12.533 6.14323 9.54944 6.04162 4.92077 numMergedOcc 0
