0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 8.59466 9.24958 12.3067 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.15652 8.59466 9.24958 8.23069 4.93188 12.3067 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.44893 9.67461 4.93188 14.0586 9.24958 12.3067 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.44893 14.0586 9.24958 9.67461 4.93188 12.3067 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 11.9181 8.6385 9.78225 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.8533 11.9181 8.6385 10.1933 5.69955 9.78225 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.87744 10.4881 5.69955 10.4441 8.6385 9.78225 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 6.87744 10.4441 8.6385 10.4881 5.69955 9.78225 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 6.40398 10.9094 8.7817 11.8694 7.55415 5.26258 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 6.40398 11.8694 7.55415 10.9094 8.7817 5.26258 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 9.17687 14.4151 9.93832 10.3283 8.60739 8.13395 numMergedOcc 0
11 mol 43 unq 0 iso 1 dist 9.17687 10.3283 8.60739 14.4151 9.93832 8.13395 numMergedOcc 0
12 mol 65 unq 0 iso 0 dist 4.76226 4.8507 5.69971 7.51615 9.83239 9.20128 numMergedOcc 0
13 mol 65 unq 0 iso 1 dist 4.76226 7.51615 9.83239 4.8507 5.69971 9.20128 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 4.76226 4.8507 5.69971 10.2999 8.37515 10.2941 numMergedOcc 0
15 mol 65 unq 1 iso 1 dist 4.76226 10.2999 8.37515 4.8507 5.69971 10.2941 numMergedOcc 0
16 mol 65 unq 1 iso 0 dist 4.76226 7.51615 9.83239 10.2999 8.37515 8.06868 numMergedOcc 0
17 mol 65 unq 1 iso 1 dist 4.76226 10.2999 8.37515 7.51615 9.83239 8.06868 numMergedOcc 0
18 mol 70 unq 0 iso 0 dist 9.33262 9.9009 9.31969 9.66495 6.54023 5.22626 numMergedOcc 0
19 mol 70 unq 0 iso 1 dist 9.33262 9.66495 6.54023 9.9009 9.31969 5.22626 numMergedOcc 0
20 mol 70 unq 1 iso 0 dist 4.67358 9.17087 9.31969 5.33532 6.54023 5.22626 numMergedOcc 0
21 mol 70 unq 1 iso 1 dist 4.67358 5.33532 6.54023 9.17087 9.31969 5.22626 numMergedOcc 0
22 mol 94 unq 0 iso 0 dist 7.63006 10.119 8.16733 6.26149 9.97569 7.49897 numMergedOcc 0
23 mol 94 unq 0 iso 1 dist 7.63006 6.26149 9.97569 10.119 8.16733 7.49897 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 14.9745 7.89665 4.50554 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 9.17137 14.9745 7.89665 12.602 5.88354 4.50554 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 9.17137 12.602 5.88354 6.80307 5.39354 7.40461 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 9.17137 6.80307 5.39354 12.602 5.88354 7.40461 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 9.17137 12.602 5.88354 5.37332 5.74854 7.72877 numMergedOcc 0
29 mol 98 unq 2 iso 1 dist 9.17137 5.37332 5.74854 12.602 5.88354 7.72877 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 9.17137 12.602 5.88354 12.921 8.76566 10.51 numMergedOcc 0
31 mol 98 unq 3 iso 1 dist 9.17137 12.921 8.76566 12.602 5.88354 10.51 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 9.17137 12.602 5.88354 10.4811 8.8368 13.5683 numMergedOcc 0
33 mol 98 unq 4 iso 1 dist 9.17137 10.4811 8.8368 12.602 5.88354 13.5683 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 9.17137 14.9745 7.89665 6.80307 5.39354 8.49023 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 9.17137 6.80307 5.39354 14.9745 7.89665 8.49023 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 9.17137 14.9745 7.89665 5.37332 5.74854 11.0242 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 9.17137 5.37332 5.74854 14.9745 7.89665 11.0242 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 9.17137 14.9745 7.89665 12.921 8.76566 8.16331 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 9.17137 12.921 8.76566 14.9745 7.89665 8.16331 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 9.17137 14.9745 7.89665 10.4811 8.8368 13.0697 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 9.17137 10.4811 8.8368 14.9745 7.89665 13.0697 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 9.17137 6.80307 5.39354 5.37332 5.74854 5.09649 numMergedOcc 0
43 mol 98 unq 2 iso 1 dist 9.17137 5.37332 5.74854 6.80307 5.39354 5.09649 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 9.17137 6.80307 5.39354 12.921 8.76566 7.17023 numMergedOcc 0
45 mol 98 unq 3 iso 1 dist 9.17137 12.921 8.76566 6.80307 5.39354 7.17023 numMergedOcc 0
46 mol 98 unq 4 iso 0 dist 9.17137 6.80307 5.39354 10.4811 8.8368 8.31884 numMergedOcc 0
47 mol 98 unq 4 iso 1 dist 9.17137 10.4811 8.8368 6.80307 5.39354 8.31884 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 9.17137 5.37332 5.74854 12.921 8.76566 11.9511 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 9.17137 12.921 8.76566 5.37332 5.74854 11.9511 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 9.17137 5.37332 5.74854 10.4811 8.8368 11.569 numMergedOcc 0
51 mol 98 unq 4 iso 1 dist 9.17137 10.4811 8.8368 5.37332 5.74854 11.569 numMergedOcc 0
52 mol 98 unq 4 iso 0 dist 9.17137 12.921 8.76566 10.4811 8.8368 6.66172 numMergedOcc 0
53 mol 98 unq 4 iso 1 dist 9.17137 10.4811 8.8368 12.921 8.76566 6.66172 numMergedOcc 0
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55 mol 109 unq 0 iso 1 dist 9.9387 4.91393 8.0831 10.4339 8.67766 6.48636 numMergedOcc 0
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57 mol 112 unq 0 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 numMergedOcc 0
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59 mol 124 unq 0 iso 1 dist 9.73469 9.93061 8.80896 5.39773 8.97264 5.59807 numMergedOcc 0
60 mol 124 unq 1 iso 0 dist 5.93793 8.07661 8.97264 8.29712 8.80896 5.59807 numMergedOcc 0
61 mol 124 unq 1 iso 1 dist 5.93793 8.29712 8.80896 8.07661 8.97264 5.59807 numMergedOcc 0
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63 mol 134 unq 0 iso 1 dist 5.8367 13.0109 8.20836 11.9678 7.36779 5.62899 numMergedOcc 0
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65 mol 171 unq 0 iso 1 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 numMergedOcc 0
66 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 numMergedOcc 0
67 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.5015 7.71426 13.6814 numMergedOcc 0
68 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 numMergedOcc 0
69 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.1522 5.10618 13.7214 numMergedOcc 0
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71 mol 195 unq 0 iso 1 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 numMergedOcc 0
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87 mol 229 unq 1 iso 1 dist 7.09453 9.68525 5.77318 6.89 8.08082 5.5729 numMergedOcc 0
88 mol 229 unq 2 iso 0 dist 7.09453 6.89 8.08082 10.7618 8.19603 11.3041 numMergedOcc 0
89 mol 229 unq 2 iso 1 dist 7.09453 10.7618 8.19603 6.89 8.08082 11.3041 numMergedOcc 0
90 mol 229 unq 2 iso 0 dist 7.09453 9.68525 5.77318 10.7618 8.19603 9.96077 numMergedOcc 0
91 mol 229 unq 2 iso 1 dist 7.09453 10.7618 8.19603 9.68525 5.77318 9.96077 numMergedOcc 0
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93 mol 229 unq 3 iso 1 dist 8.69109 10.808 8.08082 15.4506 8.92743 6.94172 numMergedOcc 0
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98 mol 229 unq 4 iso 0 dist 8.69109 10.808 8.08082 11.9018 5.77318 5.5729 numMergedOcc 0
99 mol 229 unq 4 iso 1 dist 8.69109 11.9018 5.77318 10.808 8.08082 5.5729 numMergedOcc 0
100 mol 229 unq 5 iso 0 dist 8.69109 10.808 8.08082 5.93705 8.19603 11.3041 numMergedOcc 0
101 mol 229 unq 5 iso 1 dist 8.69109 5.93705 8.19603 10.808 8.08082 11.3041 numMergedOcc 0
102 mol 229 unq 5 iso 0 dist 8.69109 11.9018 5.77318 5.93705 8.19603 9.96077 numMergedOcc 0
103 mol 229 unq 5 iso 1 dist 8.69109 5.93705 8.19603 11.9018 5.77318 9.96077 numMergedOcc 0
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105 mol 230 unq 0 iso 1 dist 6.47064 11.777 7.44838 10.7614 9.09271 5.53477 numMergedOcc 0
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109 mol 238 unq 1 iso 1 dist 5.5826 5.18833 7.32982 11.1632 6.66971 10.0191 numMergedOcc 0
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111 mol 238 unq 1 iso 1 dist 5.5826 5.18833 7.32982 11.0996 6.4398 10.1648 numMergedOcc 0
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120 mol 252 unq 1 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 numMergedOcc 0
121 mol 252 unq 1 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 numMergedOcc 0
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126 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 numMergedOcc 0
127 mol 278 unq 0 iso 1 dist 9.03362 14.7348 9.12395 12.6489 7.67245 5.74345 numMergedOcc 0
