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1 mol 0 unq 0 iso 1 dist 7.19397 7.96742 12.7706 6.8892 11.5675 9.53992 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 9.12796 6.1462 4.09396 6.36157 8.60722 8.54844 numMergedOcc 0
3 mol 6 unq 0 iso 1 dist 6.1462 9.12796 4.09396 6.36157 8.54844 8.60722 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 5.9021 8.98466 12.3127 6.6051 4.86727 10.763 numMergedOcc 0
5 mol 12 unq 0 iso 1 dist 8.98466 5.9021 12.3127 6.6051 10.763 4.86727 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 8.75001 10.2713 12.053 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 8.75001 12.053 10.2713 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 9.50179 6.72231 7.62467 8.6232 5.89271 5.10048 numMergedOcc 0
9 mol 21 unq 0 iso 1 dist 6.72231 9.50179 7.62467 8.6232 5.10048 5.89271 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.36915 6.01454 8.29103 9.53081 13.2937 5.41488 numMergedOcc 0
11 mol 48 unq 0 iso 1 dist 6.01454 8.36915 8.29103 9.53081 5.41488 13.2937 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.80388 7.28156 4.41267 6.11833 5.89806 6.96209 numMergedOcc 0
13 mol 105 unq 0 iso 1 dist 7.28156 8.80388 4.41267 6.11833 6.96209 5.89806 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 8.8689 9.18139 4.41267 7.12201 5.89806 6.96209 numMergedOcc 0
15 mol 105 unq 1 iso 1 dist 9.18139 8.8689 4.41267 7.12201 6.96209 5.89806 numMergedOcc 0
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17 mol 133 unq 0 iso 1 dist 5.17734 9.6582 8.94234 9.23104 7.75771 12.4825 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.12189 7.50126 11.0817 9.2759 10.8516 5.35551 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 7.50126 5.12189 11.0817 9.2759 5.35551 10.8516 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 9.88178 6.01484 10.6104 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 5.33543 7.85526 5.63574 9.88178 10.6104 6.01484 numMergedOcc 0
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23 mol 220 unq 0 iso 1 dist 7.20255 7.57712 5.88344 5.25149 9.96224 10.1832 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 7.57712 7.20255 5.88344 8.6368 13.4455 8.70221 numMergedOcc 0
25 mol 220 unq 1 iso 1 dist 7.20255 7.57712 5.88344 8.6368 8.70221 13.4455 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 7.57716 8.98362 13.3644 6.50756 8.34243 5.82963 numMergedOcc 0
27 mol 220 unq 2 iso 1 dist 8.98362 7.57716 13.3644 6.50756 5.82963 8.34243 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 6.97426 4.73988 4.78255 numMergedOcc 0
29 mol 223 unq 0 iso 1 dist 9.14789 9.29204 4.44825 6.97426 4.78255 4.73988 numMergedOcc 0
30 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 8.87456 8.36102 5.43913 numMergedOcc 0
31 mol 223 unq 1 iso 1 dist 9.14789 9.29204 4.44825 8.87456 5.43913 8.36102 numMergedOcc 0
32 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 6.97426 4.73988 12.6805 numMergedOcc 0
33 mol 223 unq 2 iso 1 dist 7.80764 9.29204 16.0208 6.97426 12.6805 4.73988 numMergedOcc 0
34 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 8.87456 8.36102 13.9763 numMergedOcc 0
35 mol 223 unq 3 iso 1 dist 7.80764 9.29204 16.0208 8.87456 13.9763 8.36102 numMergedOcc 0
36 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 6.97426 4.73988 10.6184 numMergedOcc 0
37 mol 223 unq 4 iso 1 dist 5.75896 9.29204 11.898 6.97426 10.6184 4.73988 numMergedOcc 0
38 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 8.87456 8.36102 13.8469 numMergedOcc 0
39 mol 223 unq 5 iso 1 dist 5.75896 9.29204 11.898 8.87456 13.8469 8.36102 numMergedOcc 0
40 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 6.97426 4.78255 12.6805 numMergedOcc 0
41 mol 223 unq 2 iso 1 dist 7.80764 9.14789 16.2327 6.97426 12.6805 4.78255 numMergedOcc 0
42 mol 223 unq 3 iso 0 dist 9.14789 7.80764 16.2327 8.87456 5.43913 13.9763 numMergedOcc 0
43 mol 223 unq 3 iso 1 dist 7.80764 9.14789 16.2327 8.87456 13.9763 5.43913 numMergedOcc 0
44 mol 223 unq 4 iso 0 dist 9.14789 5.75896 13.5741 6.97426 4.78255 10.6184 numMergedOcc 0
45 mol 223 unq 4 iso 1 dist 5.75896 9.14789 13.5741 6.97426 10.6184 4.78255 numMergedOcc 0
46 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 8.87456 5.43913 13.8469 numMergedOcc 0
47 mol 223 unq 5 iso 1 dist 5.75896 9.14789 13.5741 8.87456 13.8469 5.43913 numMergedOcc 0
48 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 6.97426 12.6805 10.6184 numMergedOcc 0
49 mol 223 unq 4 iso 1 dist 5.75896 7.80764 7.12929 6.97426 10.6184 12.6805 numMergedOcc 0
50 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 8.87456 13.9763 13.8469 numMergedOcc 0
51 mol 223 unq 5 iso 1 dist 5.75896 7.80764 7.12929 8.87456 13.8469 13.9763 numMergedOcc 0
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53 mol 224 unq 0 iso 1 dist 9.37276 5.97988 8.07582 8.81063 4.19878 10.0093 numMergedOcc 0
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55 mol 245 unq 0 iso 1 dist 6.41862 7.26913 10.9806 9.96585 14.6391 6.25662 numMergedOcc 0
56 mol 245 unq 1 iso 0 dist 7.26913 6.41862 10.9806 7.27022 4.38291 10.1523 numMergedOcc 0
57 mol 245 unq 1 iso 1 dist 6.41862 7.26913 10.9806 7.27022 10.1523 4.38291 numMergedOcc 0
58 mol 245 unq 2 iso 0 dist 7.26913 6.41862 10.9806 7.95061 11.8346 3.53109 numMergedOcc 0
59 mol 245 unq 2 iso 1 dist 6.41862 7.26913 10.9806 7.95061 3.53109 11.8346 numMergedOcc 0
60 mol 245 unq 3 iso 0 dist 7.26913 8.69377 12.3319 9.96585 6.25662 17.4904 numMergedOcc 0
61 mol 245 unq 3 iso 1 dist 8.69377 7.26913 12.3319 9.96585 17.4904 6.25662 numMergedOcc 0
62 mol 245 unq 4 iso 0 dist 7.26913 8.69377 12.3319 7.27022 4.38291 13.6404 numMergedOcc 0
63 mol 245 unq 4 iso 1 dist 8.69377 7.26913 12.3319 7.27022 13.6404 4.38291 numMergedOcc 0
64 mol 245 unq 5 iso 0 dist 7.26913 8.69377 12.3319 7.95061 11.8346 9.71014 numMergedOcc 0
65 mol 245 unq 5 iso 1 dist 8.69377 7.26913 12.3319 7.95061 9.71014 11.8346 numMergedOcc 0
66 mol 245 unq 3 iso 0 dist 6.41862 8.69377 6.22658 9.96585 14.6391 17.4904 numMergedOcc 0
67 mol 245 unq 3 iso 1 dist 8.69377 6.41862 6.22658 9.96585 17.4904 14.6391 numMergedOcc 0
68 mol 245 unq 4 iso 0 dist 6.41862 8.69377 6.22658 7.27022 10.1523 13.6404 numMergedOcc 0
69 mol 245 unq 4 iso 1 dist 8.69377 6.41862 6.22658 7.27022 13.6404 10.1523 numMergedOcc 0
70 mol 245 unq 5 iso 0 dist 6.41862 8.69377 6.22658 7.95061 3.53109 9.71014 numMergedOcc 0
71 mol 245 unq 5 iso 1 dist 8.69377 6.41862 6.22658 7.95061 9.71014 3.53109 numMergedOcc 0
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75 mol 249 unq 1 iso 1 dist 9.04715 7.58833 7.46941 8.00386 5.52082 10.9665 numMergedOcc 0
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79 mol 258 unq 1 iso 1 dist 7.70189 6.08181 9.86352 7.25618 9.46467 11.0025 numMergedOcc 0
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83 mol 259 unq 1 iso 1 dist 4.55368 8.91916 4.70261 7.67473 6.89689 9.57286 numMergedOcc 0
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85 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 8.8646 3.93133 9.94141 numMergedOcc 0
86 mol 266 unq 1 iso 0 dist 9.63694 6.58277 15.3443 6.57444 13.1376 5.91091 numMergedOcc 0
87 mol 266 unq 1 iso 1 dist 6.58277 9.63694 15.3443 6.57444 5.91091 13.1376 numMergedOcc 0
88 mol 266 unq 2 iso 0 dist 9.63694 6.58277 15.3443 7.9555 14.6225 3.93133 numMergedOcc 0
89 mol 266 unq 2 iso 1 dist 6.58277 9.63694 15.3443 7.9555 3.93133 14.6225 numMergedOcc 0
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91 mol 279 unq 0 iso 1 dist 8.78203 5.78017 10.71 8.03486 5.38411 7.78018 numMergedOcc 0
92 mol 283 unq 0 iso 0 dist 8.3815 7.13925 11.1685 5.71075 4.87508 7.75306 numMergedOcc 0
93 mol 283 unq 0 iso 1 dist 7.13925 8.3815 11.1685 5.71075 7.75306 4.87508 numMergedOcc 0
94 mol 294 unq 0 iso 0 dist 5.76337 9.39625 4.46072 9.77023 7.87494 11.4878 numMergedOcc 0
95 mol 294 unq 0 iso 1 dist 9.39625 5.76337 4.46072 9.77023 11.4878 7.87494 numMergedOcc 0
