0 mol 24 unq 0 iso 0 dist 6.72502 8.09311 9.94429 9.05357 6.88355 9.95274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.72502 9.05357 6.88355 8.09311 9.94429 9.95274 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 5.68215 8.10397 10.512 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 4.93188 5.68215 8.10397 6.6219 8.32592 10.512 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.24958 8.87744 7.55689 7.27472 5.11135 3.73215 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 9.24958 7.27472 5.11135 8.87744 7.55689 3.73215 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.90155 4.79873 6.86525 9.48085 13.7717 12.7147 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.90155 9.48085 13.7717 4.79873 6.86525 12.7147 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 6.6492 7.52933 7.41888 6.55597 8.89681 6.53015 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 6.6492 6.55597 8.89681 7.52933 7.41888 6.53015 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 6.6492 7.52933 7.41888 9.71956 6.97709 11.8984 numMergedOcc 0
11 mol 25 unq 2 iso 1 dist 6.6492 9.71956 6.97709 7.52933 7.41888 11.8984 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 6.6492 7.52933 7.41888 7.07751 5.5511 8.64476 numMergedOcc 0
13 mol 25 unq 3 iso 1 dist 6.6492 7.07751 5.5511 7.52933 7.41888 8.64476 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 6.6492 7.52933 7.41888 8.23761 4.38027 4.64241 numMergedOcc 0
15 mol 25 unq 4 iso 1 dist 6.6492 8.23761 4.38027 7.52933 7.41888 4.64241 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 6.6492 7.52933 7.41888 9.49421 11.7199 16.0628 numMergedOcc 0
17 mol 25 unq 5 iso 1 dist 6.6492 9.49421 11.7199 7.52933 7.41888 16.0628 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 6.6492 6.55597 8.89681 9.71956 6.97709 9.19736 numMergedOcc 0
19 mol 25 unq 2 iso 1 dist 6.6492 9.71956 6.97709 6.55597 8.89681 9.19736 numMergedOcc 0
20 mol 25 unq 3 iso 0 dist 6.6492 6.55597 8.89681 7.07751 5.5511 5.78812 numMergedOcc 0
21 mol 25 unq 3 iso 1 dist 6.6492 7.07751 5.5511 6.55597 8.89681 5.78812 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 6.6492 6.55597 8.89681 8.23761 4.38027 7.36721 numMergedOcc 0
23 mol 25 unq 4 iso 1 dist 6.6492 8.23761 4.38027 6.55597 8.89681 7.36721 numMergedOcc 0
24 mol 25 unq 5 iso 0 dist 6.6492 6.55597 8.89681 9.49421 11.7199 12.1732 numMergedOcc 0
25 mol 25 unq 5 iso 1 dist 6.6492 9.49421 11.7199 6.55597 8.89681 12.1732 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 6.6492 9.71956 6.97709 7.07751 5.5511 3.56099 numMergedOcc 0
27 mol 25 unq 3 iso 1 dist 6.6492 7.07751 5.5511 9.71956 6.97709 3.56099 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 6.6492 9.71956 6.97709 8.23761 4.38027 8.42944 numMergedOcc 0
29 mol 25 unq 4 iso 1 dist 6.6492 8.23761 4.38027 9.71956 6.97709 8.42944 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 6.6492 9.71956 6.97709 9.49421 11.7199 8.99147 numMergedOcc 0
31 mol 25 unq 5 iso 1 dist 6.6492 9.49421 11.7199 9.71956 6.97709 8.99147 numMergedOcc 0
32 mol 25 unq 4 iso 0 dist 6.6492 7.07751 5.5511 8.23761 4.38027 5.99526 numMergedOcc 0
33 mol 25 unq 4 iso 1 dist 6.6492 8.23761 4.38027 7.07751 5.5511 5.99526 numMergedOcc 0
34 mol 25 unq 5 iso 0 dist 6.6492 7.07751 5.5511 9.49421 11.7199 9.54872 numMergedOcc 0
35 mol 25 unq 5 iso 1 dist 6.6492 9.49421 11.7199 7.07751 5.5511 9.54872 numMergedOcc 0
36 mol 25 unq 5 iso 0 dist 6.6492 8.23761 4.38027 9.49421 11.7199 14.6175 numMergedOcc 0
37 mol 25 unq 5 iso 1 dist 6.6492 9.49421 11.7199 8.23761 4.38027 14.6175 numMergedOcc 0
38 mol 60 unq 0 iso 0 dist 8.82176 9.95132 12.9345 7.48086 5.71764 8.42811 numMergedOcc 0
39 mol 60 unq 0 iso 1 dist 8.82176 7.48086 5.71764 9.95132 12.9345 8.42811 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 6.08682 4.75954 5.30471 numMergedOcc 0
41 mol 73 unq 0 iso 1 dist 8.85586 6.08682 4.75954 5.5087 5.50891 5.30471 numMergedOcc 0
42 mol 73 unq 1 iso 0 dist 5.16364 8.72682 5.56296 6.45841 6.69436 11.9298 numMergedOcc 0
43 mol 73 unq 1 iso 1 dist 5.16364 6.45841 6.69436 8.72682 5.56296 11.9298 numMergedOcc 0
44 mol 73 unq 2 iso 0 dist 5.16364 8.72682 5.56296 5.61588 5.50891 9.76138 numMergedOcc 0
45 mol 73 unq 2 iso 1 dist 5.16364 5.61588 5.50891 8.72682 5.56296 9.76138 numMergedOcc 0
46 mol 73 unq 3 iso 0 dist 5.16364 8.72682 5.56296 7.83244 4.75954 5.81659 numMergedOcc 0
47 mol 73 unq 3 iso 1 dist 5.16364 7.83244 4.75954 8.72682 5.56296 5.81659 numMergedOcc 0
48 mol 73 unq 2 iso 0 dist 5.16364 6.45841 6.69436 5.61588 5.50891 3.32668 numMergedOcc 0
49 mol 73 unq 2 iso 1 dist 5.16364 5.61588 5.50891 6.45841 6.69436 3.32668 numMergedOcc 0
50 mol 73 unq 3 iso 0 dist 5.16364 6.45841 6.69436 7.83244 4.75954 8.07648 numMergedOcc 0
51 mol 73 unq 3 iso 1 dist 5.16364 7.83244 4.75954 6.45841 6.69436 8.07648 numMergedOcc 0
52 mol 73 unq 3 iso 0 dist 5.16364 5.61588 5.50891 7.83244 4.75954 5.30471 numMergedOcc 0
53 mol 73 unq 3 iso 1 dist 5.16364 7.83244 4.75954 5.61588 5.50891 5.30471 numMergedOcc 0
54 mol 73 unq 4 iso 0 dist 7.11 5.5087 7.50869 6.08682 3.6807 5.30471 numMergedOcc 0
55 mol 73 unq 4 iso 1 dist 7.11 6.08682 3.6807 5.5087 7.50869 5.30471 numMergedOcc 0
56 mol 73 unq 5 iso 0 dist 8.73253 8.68662 10.9746 7.4369 7.8972 3.30399 numMergedOcc 0
57 mol 73 unq 5 iso 1 dist 8.73253 7.4369 7.8972 8.68662 10.9746 3.30399 numMergedOcc 0
58 mol 100 unq 0 iso 0 dist 9.00544 7.82475 11.3766 5.35782 10.5056 3.5565 numMergedOcc 0
59 mol 100 unq 0 iso 1 dist 9.00544 5.35782 10.5056 7.82475 11.3766 3.5565 numMergedOcc 0
60 mol 100 unq 1 iso 0 dist 7.12017 7.82475 13.4027 5.35782 12.068 3.5565 numMergedOcc 0
61 mol 100 unq 1 iso 1 dist 7.12017 5.35782 12.068 7.82475 13.4027 3.5565 numMergedOcc 0
62 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 9.39168 4.4941 6.38762 numMergedOcc 0
63 mol 112 unq 0 iso 1 dist 6.78038 9.39168 4.4941 9.02706 8.90959 6.38762 numMergedOcc 0
64 mol 112 unq 1 iso 0 dist 6.47042 8.47988 8.90959 8.0427 4.4941 6.38762 numMergedOcc 0
65 mol 112 unq 1 iso 1 dist 6.47042 8.0427 4.4941 8.47988 8.90959 6.38762 numMergedOcc 0
66 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 9.42082 10.5109 11.044 numMergedOcc 0
67 mol 115 unq 0 iso 1 dist 5.72642 9.42082 10.5109 7.69765 7.27912 11.044 numMergedOcc 0
68 mol 142 unq 0 iso 0 dist 9.17106 7.81207 9.38687 7.18002 11.093 13.4681 numMergedOcc 0
69 mol 142 unq 0 iso 1 dist 9.17106 7.18002 11.093 7.81207 9.38687 13.4681 numMergedOcc 0
70 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 5.40637 6.16103 10.1474 numMergedOcc 0
71 mol 143 unq 0 iso 1 dist 8.41611 5.40637 6.16103 7.36975 9.05786 10.1474 numMergedOcc 0
72 mol 143 unq 1 iso 0 dist 7.63338 7.36975 3.75378 5.40637 8.4697 10.1474 numMergedOcc 0
73 mol 143 unq 1 iso 1 dist 7.63338 5.40637 8.4697 7.36975 3.75378 10.1474 numMergedOcc 0
74 mol 143 unq 2 iso 0 dist 9.03707 7.36975 14.0356 5.40637 5.41614 10.1474 numMergedOcc 0
75 mol 143 unq 2 iso 1 dist 9.03707 5.40637 5.41614 7.36975 14.0356 10.1474 numMergedOcc 0
76 mol 143 unq 3 iso 0 dist 7.25673 7.36975 9.30534 5.40637 6.78032 10.1474 numMergedOcc 0
77 mol 143 unq 3 iso 1 dist 7.25673 5.40637 6.78032 7.36975 9.30534 10.1474 numMergedOcc 0
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79 mol 152 unq 0 iso 1 dist 9.77552 8.9192 7.11377 6.59889 4.71678 3.55572 numMergedOcc 0
80 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 6.73504 6.19242 9.88527 numMergedOcc 0
81 mol 184 unq 0 iso 1 dist 8.77887 6.73504 6.19242 9.90822 6.88536 9.88527 numMergedOcc 0
82 mol 186 unq 0 iso 0 dist 9.83476 7.2793 6.38897 9.51091 8.93258 3.47886 numMergedOcc 0
83 mol 186 unq 0 iso 1 dist 9.83476 9.51091 8.93258 7.2793 6.38897 3.47886 numMergedOcc 0
84 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 7.85184 11.924 12.5618 numMergedOcc 0
85 mol 186 unq 1 iso 1 dist 9.83476 7.85184 11.924 7.2793 6.38897 12.5618 numMergedOcc 0
86 mol 186 unq 1 iso 0 dist 9.83476 9.51091 8.93258 7.85184 11.924 14.2448 numMergedOcc 0
87 mol 186 unq 1 iso 1 dist 9.83476 7.85184 11.924 9.51091 8.93258 14.2448 numMergedOcc 0
88 mol 186 unq 2 iso 0 dist 6.258 7.2793 8.88593 9.51091 8.7188 3.47886 numMergedOcc 0
89 mol 186 unq 2 iso 1 dist 6.258 9.51091 8.7188 7.2793 8.88593 3.47886 numMergedOcc 0
90 mol 186 unq 3 iso 0 dist 6.258 7.2793 8.88593 7.85184 9.8366 12.5618 numMergedOcc 0
91 mol 186 unq 3 iso 1 dist 6.258 7.85184 9.8366 7.2793 8.88593 12.5618 numMergedOcc 0
92 mol 186 unq 3 iso 0 dist 6.258 9.51091 8.7188 7.85184 9.8366 14.2448 numMergedOcc 0
93 mol 186 unq 3 iso 1 dist 6.258 7.85184 9.8366 9.51091 8.7188 14.2448 numMergedOcc 0
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95 mol 207 unq 0 iso 1 dist 8.85547 6.0563 5.34897 5.12567 5.34977 6.07936 numMergedOcc 0
96 mol 207 unq 1 iso 0 dist 8.85547 5.12567 5.34977 8.1244 9.86978 10.1734 numMergedOcc 0
97 mol 207 unq 1 iso 1 dist 8.85547 8.1244 9.86978 5.12567 5.34977 10.1734 numMergedOcc 0
98 mol 207 unq 1 iso 0 dist 8.85547 6.0563 5.34897 8.1244 9.86978 4.66347 numMergedOcc 0
99 mol 207 unq 1 iso 1 dist 8.85547 8.1244 9.86978 6.0563 5.34897 4.66347 numMergedOcc 0
100 mol 207 unq 2 iso 0 dist 7.96797 5.12567 5.47626 6.0563 7.64813 6.07936 numMergedOcc 0
101 mol 207 unq 2 iso 1 dist 7.96797 6.0563 7.64813 5.12567 5.47626 6.07936 numMergedOcc 0
102 mol 207 unq 3 iso 0 dist 7.96797 5.12567 5.47626 8.1244 11.9725 10.1734 numMergedOcc 0
103 mol 207 unq 3 iso 1 dist 7.96797 8.1244 11.9725 5.12567 5.47626 10.1734 numMergedOcc 0
104 mol 207 unq 3 iso 0 dist 7.96797 6.0563 7.64813 8.1244 11.9725 4.66347 numMergedOcc 0
105 mol 207 unq 3 iso 1 dist 7.96797 8.1244 11.9725 6.0563 7.64813 4.66347 numMergedOcc 0
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107 mol 222 unq 0 iso 1 dist 8.48341 8.36842 10.5383 6.74196 9.0716 8.10209 numMergedOcc 0
108 mol 222 unq 1 iso 0 dist 8.48341 6.74196 9.0716 9.75472 8.90753 9.49218 numMergedOcc 0
109 mol 222 unq 1 iso 1 dist 8.48341 9.75472 8.90753 6.74196 9.0716 9.49218 numMergedOcc 0
110 mol 222 unq 1 iso 0 dist 8.48341 8.36842 10.5383 9.75472 8.90753 3.53707 numMergedOcc 0
111 mol 222 unq 1 iso 1 dist 8.48341 9.75472 8.90753 8.36842 10.5383 3.53707 numMergedOcc 0
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113 mol 223 unq 0 iso 1 dist 6.13306 9.33543 9.63911 6.42257 4.40141 12.841 numMergedOcc 0
114 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 9.09424 5.94765 8.05944 numMergedOcc 0
115 mol 225 unq 0 iso 1 dist 6.6561 9.09424 5.94765 6.50998 6.35462 8.05944 numMergedOcc 0
116 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 8.14831 11.2847 13.7858 numMergedOcc 0
117 mol 225 unq 1 iso 1 dist 6.6561 8.14831 11.2847 6.50998 6.35462 13.7858 numMergedOcc 0
118 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 8.14831 11.2847 11.2712 numMergedOcc 0
119 mol 225 unq 1 iso 1 dist 6.6561 8.14831 11.2847 9.09424 5.94765 11.2712 numMergedOcc 0
120 mol 238 unq 0 iso 0 dist 5.52379 9.07475 6.50998 6.99888 5.63944 3.46869 numMergedOcc 0
121 mol 238 unq 0 iso 1 dist 5.52379 6.99888 5.63944 9.07475 6.50998 3.46869 numMergedOcc 0
122 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 6.95511 9.55426 3.51848 numMergedOcc 0
123 mol 259 unq 0 iso 1 dist 8.55558 6.95511 9.55426 5.85442 7.32929 3.51848 numMergedOcc 0
124 mol 259 unq 1 iso 0 dist 8.59697 8.03219 4.67584 6.9899 7.32929 8.0048 numMergedOcc 0
125 mol 259 unq 1 iso 1 dist 8.59697 6.9899 7.32929 8.03219 4.67584 8.0048 numMergedOcc 0
126 mol 274 unq 0 iso 0 dist 7.4099 9.30212 5.85225 6.4611 13.4431 13.5848 numMergedOcc 0
127 mol 274 unq 0 iso 1 dist 7.4099 6.4611 13.4431 9.30212 5.85225 13.5848 numMergedOcc 0
