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1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.8829 9.97624 5.03847 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.52106 5.51376 6.32451 10.6757 8.80193 7.62011 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.32451 5.51376 8.52106 7.62011 8.80193 10.6757 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 9.32205 8.19695 13.0631 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 8.58657 7.07775 9.80108 13.0631 8.19695 9.32205 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 9.80108 7.07775 8.58657 4.96411 7.02548 7.08342 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 8.58657 7.07775 9.80108 7.08342 7.02548 4.96411 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.00439 7.83352 6.20943 4.42145 9.85134 10.943 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.20943 7.83352 6.00439 10.943 9.85134 4.42145 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.00439 7.83352 6.20943 6.42867 5.82366 4.64838 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.20943 7.83352 6.00439 4.64838 5.82366 6.42867 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 6.00439 10.8007 7.82528 4.42145 9.85134 15.119 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 7.82528 10.8007 6.00439 15.119 9.85134 4.42145 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 6.00439 10.8007 7.82528 6.42867 5.82366 4.97119 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 7.82528 10.8007 6.00439 4.97119 5.82366 6.42867 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 6.20943 7.67038 7.82528 10.943 9.85134 15.119 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 7.82528 7.67038 6.20943 15.119 9.85134 10.943 numMergedOcc 0
18 mol 19 unq 5 iso 0 dist 6.20943 7.67038 7.82528 4.64838 5.82366 4.97119 numMergedOcc 0
19 mol 19 unq 5 iso 1 dist 7.82528 7.67038 6.20943 4.97119 5.82366 4.64838 numMergedOcc 0
20 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 8.26635 7.21995 5.05051 numMergedOcc 0
21 mol 45 unq 0 iso 1 dist 9.3403 6.11102 6.99408 5.05051 7.21995 8.26635 numMergedOcc 0
22 mol 45 unq 1 iso 0 dist 6.99408 6.11102 9.3403 13.4503 9.62637 10.6148 numMergedOcc 0
23 mol 45 unq 1 iso 1 dist 9.3403 6.11102 6.99408 10.6148 9.62637 13.4503 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 6.40841 11.0466 7.58407 7.12541 8.71468 11.387 numMergedOcc 0
25 mol 58 unq 0 iso 1 dist 7.58407 11.0466 6.40841 11.387 8.71468 7.12541 numMergedOcc 0
26 mol 58 unq 1 iso 0 dist 6.40841 5.90225 6.31428 7.12541 8.71468 5.74871 numMergedOcc 0
27 mol 58 unq 1 iso 1 dist 6.31428 5.90225 6.40841 5.74871 8.71468 7.12541 numMergedOcc 0
28 mol 58 unq 2 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 numMergedOcc 0
29 mol 58 unq 2 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 numMergedOcc 0
31 mol 58 unq 3 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 numMergedOcc 0
34 mol 58 unq 3 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 numMergedOcc 0
35 mol 58 unq 3 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 numMergedOcc 0
36 mol 58 unq 4 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 numMergedOcc 0
37 mol 58 unq 4 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 numMergedOcc 0
38 mol 58 unq 4 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 numMergedOcc 0
39 mol 58 unq 4 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 numMergedOcc 0
40 mol 58 unq 1 iso 0 dist 7.58407 6.47414 6.31428 11.387 8.71468 5.74871 numMergedOcc 0
41 mol 58 unq 1 iso 1 dist 6.31428 6.47414 7.58407 5.74871 8.71468 11.387 numMergedOcc 0
42 mol 64 unq 0 iso 0 dist 8.68586 10.6748 9.54144 6.21578 9.32552 11.4485 numMergedOcc 0
43 mol 64 unq 0 iso 1 dist 9.54144 10.6748 8.68586 11.4485 9.32552 6.21578 numMergedOcc 0
44 mol 70 unq 0 iso 0 dist 8.33704 5.22626 7.92394 6.50609 9.48582 8.34216 numMergedOcc 0
45 mol 70 unq 0 iso 1 dist 7.92394 5.22626 8.33704 8.34216 9.48582 6.50609 numMergedOcc 0
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47 mol 73 unq 0 iso 1 dist 5.64598 7.4697 8.70133 8.44406 7.10439 5.11416 numMergedOcc 0
48 mol 73 unq 1 iso 0 dist 8.70133 5.4148 4.65521 5.11416 7.10439 6.56633 numMergedOcc 0
49 mol 73 unq 1 iso 1 dist 4.65521 5.4148 8.70133 6.56633 7.10439 5.11416 numMergedOcc 0
50 mol 73 unq 1 iso 0 dist 5.64598 5.7113 4.65521 8.44406 7.10439 6.56633 numMergedOcc 0
51 mol 73 unq 1 iso 1 dist 4.65521 5.7113 5.64598 6.56633 7.10439 8.44406 numMergedOcc 0
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53 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 6.45686 7.03226 4.85247 numMergedOcc 0
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55 mol 87 unq 0 iso 1 dist 8.32298 7.40574 7.51358 7.93998 7.2268 5.95671 numMergedOcc 0
56 mol 87 unq 1 iso 0 dist 7.51358 7.40574 8.32298 4.33593 9.69219 6.09884 numMergedOcc 0
57 mol 87 unq 1 iso 1 dist 8.32298 7.40574 7.51358 6.09884 9.69219 4.33593 numMergedOcc 0
58 mol 90 unq 0 iso 0 dist 8.39016 7.60026 6.99355 9.60325 9.56752 7.25602 numMergedOcc 0
59 mol 90 unq 0 iso 1 dist 6.99355 7.60026 8.39016 7.25602 9.56752 9.60325 numMergedOcc 0
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61 mol 92 unq 0 iso 1 dist 7.06013 5.02055 5.81965 8.51055 7.1539 8.55834 numMergedOcc 0
62 mol 92 unq 1 iso 0 dist 5.81965 5.02055 7.06013 9.50382 5.39745 11.3858 numMergedOcc 0
63 mol 92 unq 1 iso 1 dist 7.06013 5.02055 5.81965 11.3858 5.39745 9.50382 numMergedOcc 0
64 mol 92 unq 2 iso 0 dist 5.81965 8.95922 9.70512 8.55834 7.1539 7.76866 numMergedOcc 0
65 mol 92 unq 2 iso 1 dist 9.70512 8.95922 5.81965 7.76866 7.1539 8.55834 numMergedOcc 0
66 mol 92 unq 3 iso 0 dist 5.81965 8.95922 9.70512 9.50382 5.39745 7.56363 numMergedOcc 0
67 mol 92 unq 3 iso 1 dist 9.70512 8.95922 5.81965 7.56363 5.39745 9.50382 numMergedOcc 0
68 mol 92 unq 2 iso 0 dist 7.06013 12.4494 9.70512 8.51055 7.1539 7.76866 numMergedOcc 0
69 mol 92 unq 2 iso 1 dist 9.70512 12.4494 7.06013 7.76866 7.1539 8.51055 numMergedOcc 0
70 mol 92 unq 3 iso 0 dist 7.06013 12.4494 9.70512 11.3858 5.39745 7.56363 numMergedOcc 0
71 mol 92 unq 3 iso 1 dist 9.70512 12.4494 7.06013 7.56363 5.39745 11.3858 numMergedOcc 0
72 mol 100 unq 0 iso 0 dist 9.39469 6.90824 4.76815 9.36726 7.09065 7.16919 numMergedOcc 0
73 mol 100 unq 0 iso 1 dist 4.76815 6.90824 9.39469 7.16919 7.09065 9.36726 numMergedOcc 0
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75 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 15.5019 7.26955 5.92984 numMergedOcc 0
76 mol 119 unq 1 iso 0 dist 7.39889 11.3169 7.44174 5.92984 7.26955 10.314 numMergedOcc 0
77 mol 119 unq 1 iso 1 dist 7.44174 11.3169 7.39889 10.314 7.26955 5.92984 numMergedOcc 0
78 mol 119 unq 1 iso 0 dist 9.63176 12.4603 7.44174 15.5019 7.26955 10.314 numMergedOcc 0
79 mol 119 unq 1 iso 1 dist 7.44174 12.4603 9.63176 10.314 7.26955 15.5019 numMergedOcc 0
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85 mol 126 unq 2 iso 1 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 numMergedOcc 0
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90 mol 134 unq 1 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 numMergedOcc 0
91 mol 134 unq 1 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 numMergedOcc 0
92 mol 134 unq 2 iso 0 dist 8.94837 7.93571 7.77454 14.2198 6.93279 11.147 numMergedOcc 0
93 mol 134 unq 2 iso 1 dist 7.77454 7.93571 8.94837 11.147 6.93279 14.2198 numMergedOcc 0
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95 mol 140 unq 0 iso 1 dist 7.27371 6.43459 6.95323 7.3833 8.60108 5.64422 numMergedOcc 0
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99 mol 141 unq 1 iso 1 dist 9.54444 5.67306 6.93652 8.43221 7.76442 10.6531 numMergedOcc 0
100 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 10.0059 6.46089 8.57817 numMergedOcc 0
101 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 8.57817 6.46089 10.0059 numMergedOcc 0
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103 mol 155 unq 0 iso 1 dist 9.14392 5.71071 7.16254 6.89781 9.0529 10.4923 numMergedOcc 0
104 mol 155 unq 1 iso 0 dist 9.86313 5.71071 7.51198 11.0769 9.80845 5.50031 numMergedOcc 0
105 mol 155 unq 1 iso 1 dist 7.51198 5.71071 9.86313 5.50031 9.80845 11.0769 numMergedOcc 0
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107 mol 155 unq 2 iso 1 dist 7.51198 5.71071 9.86313 6.89781 7.55196 10.4923 numMergedOcc 0
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111 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 numMergedOcc 0
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113 mol 173 unq 2 iso 1 dist 8.31897 5.16343 7.93331 10.8609 8.41245 6.14414 numMergedOcc 0
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118 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 numMergedOcc 0
119 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 numMergedOcc 0
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121 mol 175 unq 0 iso 1 dist 7.24908 7.42466 9.8589 4.63177 5.4997 8.29015 numMergedOcc 0
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126 mol 194 unq 1 iso 0 dist 6.95408 10.5623 9.2285 5.43725 9.86703 13.5246 numMergedOcc 0
127 mol 194 unq 1 iso 1 dist 9.2285 10.5623 6.95408 13.5246 9.86703 5.43725 numMergedOcc 0
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129 mol 194 unq 2 iso 1 dist 7.58278 11.7618 6.95408 14.8824 9.86703 5.43725 numMergedOcc 0
130 mol 194 unq 1 iso 0 dist 9.57538 4.53419 9.2285 10.0597 9.86703 13.5246 numMergedOcc 0
131 mol 194 unq 1 iso 1 dist 9.2285 4.53419 9.57538 13.5246 9.86703 10.0597 numMergedOcc 0
132 mol 194 unq 2 iso 0 dist 9.57538 8.12479 7.58278 10.0597 9.86703 14.8824 numMergedOcc 0
133 mol 194 unq 2 iso 1 dist 7.58278 8.12479 9.57538 14.8824 9.86703 10.0597 numMergedOcc 0
134 mol 194 unq 2 iso 0 dist 9.2285 4.40125 7.58278 13.5246 9.86703 14.8824 numMergedOcc 0
135 mol 194 unq 2 iso 1 dist 7.58278 4.40125 9.2285 14.8824 9.86703 13.5246 numMergedOcc 0
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143 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 6.01041 7.31773 15.6327 numMergedOcc 0
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145 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 6.82855 7.31773 15.6327 numMergedOcc 0
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147 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.46722 7.31773 15.6327 numMergedOcc 0
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149 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 6.01041 7.31773 10.632 numMergedOcc 0
150 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 10.632 7.31773 6.82855 numMergedOcc 0
151 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 6.82855 7.31773 10.632 numMergedOcc 0
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153 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.46722 7.31773 10.632 numMergedOcc 0
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169 mol 238 unq 4 iso 1 dist 6.77463 5.31152 8.14172 10.4017 8.90076 12.2874 numMergedOcc 0
170 mol 238 unq 5 iso 0 dist 8.14172 5.31152 6.77463 7.11984 6.62002 7.95232 numMergedOcc 0
171 mol 238 unq 5 iso 1 dist 6.77463 5.31152 8.14172 7.95232 6.62002 7.11984 numMergedOcc 0
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179 mol 256 unq 1 iso 1 dist 8.09363 9.92128 5.24676 5.94495 6.71249 4.99672 numMergedOcc 0
180 mol 256 unq 2 iso 0 dist 5.24676 9.92128 8.09363 7.7384 9.18903 11.0837 numMergedOcc 0
181 mol 256 unq 2 iso 1 dist 8.09363 9.92128 5.24676 11.0837 9.18903 7.7384 numMergedOcc 0
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183 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 8.75685 8.71497 8.81835 numMergedOcc 0
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185 mol 282 unq 0 iso 1 dist 7.32347 5.39891 6.85028 6.6348 6.8972 7.80785 numMergedOcc 0
186 mol 282 unq 1 iso 0 dist 6.85028 7.76539 8.3411 7.80785 6.8972 6.3458 numMergedOcc 0
187 mol 282 unq 1 iso 1 dist 8.3411 7.76539 6.85028 6.3458 6.8972 7.80785 numMergedOcc 0
188 mol 282 unq 1 iso 0 dist 7.32347 10.5372 8.3411 6.6348 6.8972 6.3458 numMergedOcc 0
189 mol 282 unq 1 iso 1 dist 8.3411 10.5372 7.32347 6.3458 6.8972 6.6348 numMergedOcc 0
