0 mol 14 unq 0 iso 0 dist 8.82819 6.03847 9.7022 5.36937 5.53425 9.58196 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.82819 6.03847 9.7022 5.99703 5.67201 9.04767 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 5.36937 6.03847 9.58196 8.82819 5.53425 9.7022 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 5.36937 6.03847 9.58196 5.99703 4.53725 9.04767 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 7.73217 4.75873 9.04767 10.9341 5.67201 9.7022 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 7.73217 4.75873 9.04767 9.95397 4.53725 9.58196 numMergedOcc 0
6 mol 14 unq 6 iso 0 dist 5.99703 6.03847 9.04767 8.82819 5.67201 9.7022 numMergedOcc 0
7 mol 14 unq 7 iso 0 dist 5.99703 6.03847 9.04767 5.36937 4.53725 9.58196 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 12.8949 6.92781 6.31718 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 16.7413 10.3915 7.82074 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.5813 6.45462 8.93915 numMergedOcc 0
15 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 numMergedOcc 0
16 mol 43 unq 3 iso 0 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 18.0681 10.0246 6.85766 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 numMergedOcc 0
19 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 13.4319 6.54743 8.90863 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 12.4311 10.1562 8.33063 numMergedOcc 0
21 mol 60 unq 3 iso 0 dist 7.15352 4.80738 6.43294 11.7612 5.67502 8.7531 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.8693 15.7123 9.38498 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 10.5158 12.016 9.75218 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 14.3639 5.42586 7.97049 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 14.3639 5.42586 7.47541 numMergedOcc 0
27 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 19.3849 10.1164 5.73196 numMergedOcc 0
28 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 numMergedOcc 0
29 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 numMergedOcc 0
33 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 numMergedOcc 0
34 mol 100 unq 4 iso 0 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 numMergedOcc 0
35 mol 100 unq 5 iso 0 dist 9.22737 4.95357 6.56369 12.7823 5.88134 9.35224 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 11.3703 9.05135 9.61051 numMergedOcc 0
40 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 12.0652 9.05135 9.61051 numMergedOcc 0
41 mol 129 unq 2 iso 0 dist 8.00624 15.4586 8.54584 11.5175 4.61027 8.53613 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 15.4305 7.81217 6.80239 numMergedOcc 0
43 mol 133 unq 1 iso 0 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 numMergedOcc 0
44 mol 133 unq 2 iso 0 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 numMergedOcc 0
45 mol 133 unq 3 iso 0 dist 9.47554 9.67676 8.00618 13.9771 7.79672 6.80239 numMergedOcc 0
46 mol 133 unq 4 iso 0 dist 9.1146 11.0256 7.11802 15.6213 8.18495 8.00618 numMergedOcc 0
47 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 13.8807 5.79898 9.89303 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 numMergedOcc 0
49 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 numMergedOcc 0
50 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 numMergedOcc 0
51 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 numMergedOcc 0
52 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 numMergedOcc 0
53 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 numMergedOcc 0
54 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 numMergedOcc 0
55 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 numMergedOcc 0
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57 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 12.3711 6.4896 8.67331 numMergedOcc 0
58 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 13.7313 5.42328 8.87437 numMergedOcc 0
59 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 12.3711 6.4896 8.05741 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 numMergedOcc 0
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62 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 numMergedOcc 0
63 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 8.95375 5.63422 9.774 numMergedOcc 0
64 mol 206 unq 1 iso 0 dist 8.95375 7.72969 9.774 8.11407 5.63422 7.7366 numMergedOcc 0
65 mol 206 unq 2 iso 0 dist 9.29007 9.9578 9.774 11.3921 5.63422 7.7366 numMergedOcc 0
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67 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 numMergedOcc 0
68 mol 224 unq 2 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 numMergedOcc 0
69 mol 224 unq 3 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 numMergedOcc 0
70 mol 224 unq 4 iso 0 dist 8.80858 11.8641 9.16166 13.3427 6.91102 5.81334 numMergedOcc 0
71 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 numMergedOcc 0
72 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 numMergedOcc 0
73 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 numMergedOcc 0
74 mol 227 unq 3 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 numMergedOcc 0
75 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 numMergedOcc 0
76 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 numMergedOcc 0
77 mol 227 unq 6 iso 0 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 numMergedOcc 0
78 mol 227 unq 7 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 numMergedOcc 0
79 mol 227 unq 8 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 numMergedOcc 0
80 mol 227 unq 9 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 numMergedOcc 0
81 mol 227 unq 10 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 numMergedOcc 0
82 mol 227 unq 11 iso 0 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 numMergedOcc 0
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89 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 numMergedOcc 0
90 mol 236 unq 3 iso 0 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 numMergedOcc 0
91 mol 236 unq 4 iso 0 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 numMergedOcc 0
92 mol 236 unq 5 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 numMergedOcc 0
93 mol 236 unq 6 iso 0 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 numMergedOcc 0
94 mol 236 unq 7 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 numMergedOcc 0
95 mol 236 unq 8 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 numMergedOcc 0
96 mol 236 unq 9 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 numMergedOcc 0
97 mol 236 unq 10 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 numMergedOcc 0
98 mol 236 unq 11 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 numMergedOcc 0
99 mol 236 unq 12 iso 0 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 numMergedOcc 0
100 mol 236 unq 13 iso 0 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 numMergedOcc 0
101 mol 236 unq 14 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 numMergedOcc 0
102 mol 236 unq 15 iso 0 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 numMergedOcc 0
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105 mol 261 unq 1 iso 0 dist 5.00128 5.09097 8.43057 9.77784 10.1239 7.73141 numMergedOcc 0
106 mol 261 unq 2 iso 0 dist 6.58604 11.9784 8.43057 15.9156 10.1239 7.73141 numMergedOcc 0
107 mol 261 unq 3 iso 0 dist 7.30472 11.6843 8.43057 16.5234 10.1239 7.73141 numMergedOcc 0
108 mol 261 unq 4 iso 0 dist 7.00833 6.75336 8.45658 10.0402 7.00201 9.14619 numMergedOcc 0
109 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 13.6353 7.03728 6.92774 numMergedOcc 0
110 mol 273 unq 1 iso 0 dist 9.37841 9.71586 9.01049 10.4633 8.05475 9.2983 numMergedOcc 0
111 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 12.9942 6.88557 6.87396 numMergedOcc 0
112 mol 280 unq 0 iso 0 dist 5.41639 8.26589 6.53701 7.96485 5.51836 6.0664 numMergedOcc 0
113 mol 280 unq 1 iso 0 dist 7.96485 8.26589 6.0664 5.41639 5.51836 6.53701 numMergedOcc 0
