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3 mol 0 unq 1 iso 1 dist 7.96742 10.8652 8.66612 5.56616 6.0681 5.31767 numMergedOcc 0
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5 mol 0 unq 1 iso 1 dist 7.96742 10.8257 8.84413 5.56616 6.0681 7.46573 numMergedOcc 0
6 mol 0 unq 2 iso 0 dist 8.82108 8.43234 9.59745 4.18909 5.83173 6.35639 numMergedOcc 0
7 mol 0 unq 2 iso 1 dist 9.59745 8.43234 8.82108 6.35639 5.83173 4.18909 numMergedOcc 0
8 mol 0 unq 3 iso 0 dist 8.82108 8.43234 9.59745 12.7194 9.94248 8.87052 numMergedOcc 0
9 mol 0 unq 3 iso 1 dist 9.59745 8.43234 8.82108 8.87052 9.94248 12.7194 numMergedOcc 0
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11 mol 0 unq 4 iso 1 dist 7.19397 6.82018 6.19218 5.56616 8.52471 7.4304 numMergedOcc 0
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13 mol 64 unq 0 iso 1 dist 7.24183 5.76037 7.8986 6.10515 9.14856 11.5903 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 7.8986 5.76037 7.24183 8.73619 4.97843 8.70732 numMergedOcc 0
15 mol 64 unq 1 iso 1 dist 7.24183 5.76037 7.8986 8.70732 4.97843 8.73619 numMergedOcc 0
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27 mol 232 unq 1 iso 1 dist 5.92175 4.22519 7.76477 12.5026 9.00007 12.6605 numMergedOcc 0
28 mol 232 unq 1 iso 0 dist 6.82688 9.1904 5.92175 4.87212 9.00007 12.5026 numMergedOcc 0
29 mol 232 unq 1 iso 1 dist 5.92175 9.1904 6.82688 12.5026 9.00007 4.87212 numMergedOcc 0
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31 mol 254 unq 0 iso 1 dist 9.75152 17.0271 9.36171 9.73337 9.89583 15.4999 numMergedOcc 0
32 mol 254 unq 1 iso 0 dist 9.36171 13.1599 6.76462 15.4999 9.89583 5.86084 numMergedOcc 0
33 mol 254 unq 1 iso 1 dist 6.76462 13.1599 9.36171 5.86084 9.89583 15.4999 numMergedOcc 0
34 mol 254 unq 2 iso 0 dist 9.36171 11.4318 9.03739 15.4999 9.89583 5.61942 numMergedOcc 0
35 mol 254 unq 2 iso 1 dist 9.03739 11.4318 9.36171 5.61942 9.89583 15.4999 numMergedOcc 0
36 mol 254 unq 3 iso 0 dist 9.36171 9.90149 7.53352 15.4999 9.89583 12.4482 numMergedOcc 0
37 mol 254 unq 3 iso 1 dist 7.53352 9.90149 9.36171 12.4482 9.89583 15.4999 numMergedOcc 0
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39 mol 254 unq 1 iso 1 dist 6.76462 5.13266 9.75152 5.86084 9.89583 9.73337 numMergedOcc 0
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43 mol 254 unq 3 iso 1 dist 7.53352 16.6033 9.75152 12.4482 9.89583 9.73337 numMergedOcc 0
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46 mol 254 unq 3 iso 0 dist 6.76462 12.6531 7.53352 5.86084 9.89583 12.4482 numMergedOcc 0
47 mol 254 unq 3 iso 1 dist 7.53352 12.6531 6.76462 12.4482 9.89583 5.86084 numMergedOcc 0
48 mol 254 unq 3 iso 0 dist 9.03739 12.2263 7.53352 5.61942 9.89583 12.4482 numMergedOcc 0
49 mol 254 unq 3 iso 1 dist 7.53352 12.2263 9.03739 12.4482 9.89583 5.61942 numMergedOcc 0
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53 mol 266 unq 1 iso 1 dist 8.42706 6.70676 6.58277 14.5478 9.19928 9.43456 numMergedOcc 0
54 mol 266 unq 2 iso 0 dist 6.58277 13.1611 8.12204 5.53503 6.36049 11.3259 numMergedOcc 0
55 mol 266 unq 2 iso 1 dist 8.12204 13.1611 6.58277 11.3259 6.36049 5.53503 numMergedOcc 0
56 mol 266 unq 3 iso 0 dist 6.58277 13.1611 8.12204 9.43456 9.19928 8.72736 numMergedOcc 0
57 mol 266 unq 3 iso 1 dist 8.12204 13.1611 6.58277 8.72736 9.19928 9.43456 numMergedOcc 0
58 mol 266 unq 2 iso 0 dist 8.42706 16.4476 8.12204 8.29194 6.36049 11.3259 numMergedOcc 0
59 mol 266 unq 2 iso 1 dist 8.12204 16.4476 8.42706 11.3259 6.36049 8.29194 numMergedOcc 0
60 mol 266 unq 3 iso 0 dist 8.42706 16.4476 8.12204 14.5478 9.19928 8.72736 numMergedOcc 0
61 mol 266 unq 3 iso 1 dist 8.12204 16.4476 8.42706 8.72736 9.19928 14.5478 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 7.21004 10.1431 8.75703 13.3277 9.36111 6.1159 numMergedOcc 0
63 mol 274 unq 0 iso 1 dist 8.75703 10.1431 7.21004 6.1159 9.36111 13.3277 numMergedOcc 0
64 mol 282 unq 0 iso 0 dist 8.61456 5.92133 8.41041 10.1569 9.79549 4.54514 numMergedOcc 0
65 mol 282 unq 0 iso 1 dist 8.41041 5.92133 8.61456 4.54514 9.79549 10.1569 numMergedOcc 0
66 mol 293 unq 0 iso 0 dist 8.8788 6.3489 8.42712 7.77971 7.96687 7.13343 numMergedOcc 0
67 mol 293 unq 0 iso 1 dist 8.42712 6.3489 8.8788 7.13343 7.96687 7.77971 numMergedOcc 0
