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1 mol 0 unq 1 iso 0 dist 7.96742 6.8892 9.53992 10.8257 8.84413 15.6911 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 6.8892 11.5675 6.82018 6.19218 13.3928 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 10.3489 9.1686 20.0418 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 8.99402 9.78153 17.1926 15.2253 7.3489 23.5358 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 6.90032 6.65398 10.0413 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 6.90646 8.14932 15.1231 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 6.36389 6.17846 10.2564 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 9.86958 8.85416 5.88036 13.347 6.17846 10.2564 numMergedOcc 0
10 mol 64 unq 4 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 numMergedOcc 0
11 mol 64 unq 5 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 numMergedOcc 0
12 mol 64 unq 6 iso 0 dist 7.8986 9.75299 8.49962 5.76037 7.24183 9.30042 numMergedOcc 0
13 mol 64 unq 7 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 numMergedOcc 0
14 mol 64 unq 8 iso 0 dist 7.24183 9.30042 8.49962 5.76037 7.8986 9.75299 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 16.6115 8.60363 12.702 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.92936 7.48556 4.97519 11.6681 8.4438 12.8483 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 5.92936 9.47045 9.95663 11.6681 8.4438 17.8092 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 5.92936 8.68218 6.87319 11.6681 8.4438 13.8274 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 8.4438 7.58027 9.96367 11.6681 5.92936 15.1219 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 8.4438 4.34694 9.65371 11.6681 5.92936 13.9566 numMergedOcc 0
21 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 4.40288 8.8689 7.12201 numMergedOcc 0
22 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 4.40288 8.80388 6.11833 numMergedOcc 0
23 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 4.40288 9.18139 7.12201 numMergedOcc 0
24 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 4.40288 7.28156 6.11833 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 7.02969 9.3757 5.44978 4.22711 7.02265 10.7771 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 7.02969 9.3757 5.44978 10.5302 9.42175 9.42014 numMergedOcc 0
27 mol 112 unq 2 iso 0 dist 9.42175 9.42014 5.44978 10.5302 7.02969 9.3757 numMergedOcc 0
28 mol 112 unq 3 iso 0 dist 9.42175 9.42014 5.44978 9.00066 7.02265 10.7771 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 9.6582 9.23104 12.4825 5.13345 7.96689 12.0283 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 9.07294 5.79195 5.35551 12.1681 7.50126 9.2759 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 5.17734 9.23104 7.75771 5.13345 4.83134 12.0283 numMergedOcc 0
32 mol 133 unq 3 iso 0 dist 5.12189 9.2759 10.8516 10.5053 7.50911 14.578 numMergedOcc 0
33 mol 133 unq 4 iso 0 dist 7.50126 9.2759 5.35551 12.1681 9.07294 5.79195 numMergedOcc 0
34 mol 189 unq 0 iso 0 dist 7.04604 6.77641 9.94485 8.91303 5.11059 14.0544 numMergedOcc 0
35 mol 189 unq 1 iso 0 dist 7.04604 7.54658 4.92169 8.91303 5.11059 9.95686 numMergedOcc 0
36 mol 189 unq 2 iso 0 dist 5.11059 9.95686 4.92169 8.91303 7.04604 7.54658 numMergedOcc 0
37 mol 189 unq 3 iso 0 dist 5.11059 9.47321 8.03657 8.91303 7.04604 14.5375 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 6.68286 6.24111 11.3628 numMergedOcc 0
39 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 9.50065 9.00343 15.4257 numMergedOcc 0
40 mol 223 unq 0 iso 0 dist 9.14789 6.97426 4.78255 9.20811 8.78739 11.322 numMergedOcc 0
41 mol 223 unq 1 iso 0 dist 9.14789 8.87456 5.43913 9.20811 8.78739 10.7897 numMergedOcc 0
42 mol 223 unq 2 iso 0 dist 7.80764 6.97426 12.6805 7.75335 6.03408 11.9062 numMergedOcc 0
43 mol 223 unq 3 iso 0 dist 7.80764 8.87456 13.9763 7.75335 6.03408 11.0836 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 11.1434 6.6537 9.7994 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 5.97988 8.81063 10.0093 11.1019 9.08719 18.5745 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 5.96129 7.43793 14.8863 numMergedOcc 0
47 mol 245 unq 0 iso 0 dist 6.41862 9.96585 14.6391 9.57831 9.85927 17.6481 numMergedOcc 0
48 mol 245 unq 1 iso 0 dist 6.41862 7.27022 10.1523 9.57831 9.85927 15.314 numMergedOcc 0
49 mol 245 unq 2 iso 0 dist 6.41862 7.95061 3.53109 9.57831 9.85927 10.2635 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 4.55368 8.54422 6.14631 6.17736 9.45077 13.849 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 4.55368 7.67473 6.89689 6.17736 9.45077 13.7646 numMergedOcc 0
52 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 6.43452 9.71882 9.13604 numMergedOcc 0
53 mol 261 unq 1 iso 0 dist 9.70222 9.72159 4.97878 6.43452 9.71882 6.89731 numMergedOcc 0
54 mol 261 unq 2 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 numMergedOcc 0
55 mol 261 unq 3 iso 0 dist 9.71882 6.89731 4.97878 6.43452 9.70222 9.72159 numMergedOcc 0
56 mol 261 unq 4 iso 0 dist 9.71882 9.85607 9.35886 6.43452 9.70222 12.3279 numMergedOcc 0
57 mol 265 unq 0 iso 0 dist 9.50814 7.52632 3.89234 12.462 9.56472 12.3511 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 6.28482 6.91743 12.3228 numMergedOcc 0
59 mol 266 unq 1 iso 0 dist 9.63694 7.9555 14.6225 6.28482 6.91743 13.7347 numMergedOcc 0
60 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 6.70676 8.42706 11.4453 numMergedOcc 0
61 mol 266 unq 3 iso 0 dist 6.58277 6.57444 5.91091 13.1611 8.12204 9.39714 numMergedOcc 0
62 mol 266 unq 4 iso 0 dist 6.58277 7.9555 3.93133 6.70676 8.42706 8.8646 numMergedOcc 0
63 mol 266 unq 5 iso 0 dist 6.58277 7.9555 3.93133 13.1611 8.12204 10.1316 numMergedOcc 0
64 mol 266 unq 6 iso 0 dist 8.42706 8.8646 3.93133 6.70676 6.58277 7.9555 numMergedOcc 0
65 mol 266 unq 7 iso 0 dist 8.42706 8.8646 3.93133 16.4476 8.12204 10.1316 numMergedOcc 0
66 mol 266 unq 8 iso 0 dist 8.12204 9.39714 5.91091 13.1611 6.58277 6.57444 numMergedOcc 0
67 mol 266 unq 9 iso 0 dist 8.12204 9.39714 5.91091 16.4476 8.42706 11.4453 numMergedOcc 0
68 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.22487 6.12742 12.7328 numMergedOcc 0
69 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 5.92133 8.41041 8.22117 numMergedOcc 0
70 mol 282 unq 1 iso 0 dist 8.61456 9.98886 4.68809 5.92133 8.41041 6.81887 numMergedOcc 0
71 mol 282 unq 2 iso 0 dist 8.41041 8.22117 9.80233 5.92133 8.61456 5.00258 numMergedOcc 0
72 mol 282 unq 3 iso 0 dist 8.41041 6.81887 4.68809 5.92133 8.61456 9.98886 numMergedOcc 0
73 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 6.3489 8.42712 6.42608 numMergedOcc 0
74 mol 293 unq 1 iso 0 dist 8.42712 6.42608 8.14268 6.3489 8.8788 4.72125 numMergedOcc 0
75 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 9.4329 8.60441 16.275 numMergedOcc 0
76 mol 294 unq 1 iso 0 dist 9.39625 9.77023 11.4878 9.4329 6.97558 16.275 numMergedOcc 0
