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1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 12.3538 7.19817 9.6994 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 10.6491 6.92781 6.31718 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 10.8592 10.8455 6.31718 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 14.9301 10.3915 8.4674 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.18518 14.1404 8.4674 12.9091 5.80928 4.51865 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 8.18518 6.57145 4.54938 10.7917 7.34551 7.20519 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 8.18518 6.57145 4.54938 12.9091 5.80928 6.864 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 12.4687 12.3067 7.36323 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 11.0381 12.3067 5.54419 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 9.05547 6.34748 6.85766 13.5562 10.0246 7.71095 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.8366 10.6819 6.65595 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 17.4408 11.3621 9.25011 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 12.1949 5.51199 8.52121 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.392 5.4148 9.96396 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 numMergedOcc 0
21 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 7.16583 6.77761 7.79912 11.6681 5.64643 8.56639 numMergedOcc 0
23 mol 75 unq 1 iso 0 dist 7.16583 6.77761 7.79912 13.9013 10.4899 8.59017 numMergedOcc 0
24 mol 75 unq 2 iso 0 dist 7.118 5.06305 7.79912 8.24814 5.64643 8.56639 numMergedOcc 0
25 mol 75 unq 3 iso 0 dist 7.118 5.06305 7.79912 11.548 10.4899 8.59017 numMergedOcc 0
26 mol 75 unq 4 iso 0 dist 8.24814 5.06305 8.56639 7.118 5.64643 7.79912 numMergedOcc 0
27 mol 75 unq 5 iso 0 dist 8.24814 5.06305 8.56639 11.548 7.00674 8.59017 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 9.8682 6.9948 7.97049 numMergedOcc 0
29 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 11.7729 10.7229 7.95579 numMergedOcc 0
30 mol 85 unq 2 iso 0 dist 9.22376 3.85308 7.66905 9.8682 6.9948 6.19965 numMergedOcc 0
31 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 numMergedOcc 0
32 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 numMergedOcc 0
33 mol 95 unq 2 iso 0 dist 8.26838 15.4217 8.03644 15.3713 8.41707 7.27724 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 15.6218 9.71151 8.86688 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 10.1051 7 8.58044 numMergedOcc 0
37 mol 109 unq 1 iso 0 dist 8.46734 6.43998 7.34473 14.4597 8.40993 9.97763 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 numMergedOcc 0
39 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 numMergedOcc 0
40 mol 115 unq 2 iso 0 dist 9.56867 9.97256 6.11741 12.7842 8.02349 9.33865 numMergedOcc 0
41 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 7.44784 11.5723 7.30858 numMergedOcc 0
42 mol 115 unq 4 iso 0 dist 9.56867 7.64822 7.88312 12.7842 8.02349 5.83991 numMergedOcc 0
43 mol 115 unq 5 iso 0 dist 8.35604 11.9798 7.11972 16.1591 10.498 6.90986 numMergedOcc 0
44 mol 115 unq 6 iso 0 dist 7.83568 11.3906 7.11972 17.2205 10.498 6.90986 numMergedOcc 0
45 mol 127 unq 0 iso 0 dist 6.65963 10.345 8.14887 8.62711 7.30196 9.30299 numMergedOcc 0
46 mol 127 unq 1 iso 0 dist 7.73139 11.0785 9.30299 11.1225 7.30196 8.14887 numMergedOcc 0
47 mol 127 unq 2 iso 0 dist 6.66607 8.89539 9.30299 12.2522 7.30196 8.14887 numMergedOcc 0
48 mol 127 unq 3 iso 0 dist 8.62711 10.345 9.30299 6.65963 7.30196 8.14887 numMergedOcc 0
49 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 12.6562 6.761 9.91388 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 7.15203 5.38237 7.24514 10.7939 7.6656 9.52634 numMergedOcc 0
51 mol 133 unq 2 iso 0 dist 7.15203 9.71227 8.22656 11.0475 5.61668 6.82262 numMergedOcc 0
52 mol 133 unq 3 iso 0 dist 9.89098 8.96845 9.91388 13.5771 6.69554 9.52634 numMergedOcc 0
53 mol 133 unq 4 iso 0 dist 9.89098 8.96845 9.91388 12.2343 6.761 7.24514 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.738 5.49782 8.94367 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 numMergedOcc 0
57 mol 134 unq 3 iso 0 dist 7.97208 12.5576 6.54501 11.8406 5.79898 9.89303 numMergedOcc 0
58 mol 134 unq 4 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 numMergedOcc 0
59 mol 134 unq 5 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 numMergedOcc 0
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62 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 9.45659 5.35493 6.57069 numMergedOcc 0
63 mol 175 unq 2 iso 0 dist 6.73365 12.753 9.92231 12.3723 6.2715 7.652 numMergedOcc 0
64 mol 175 unq 3 iso 0 dist 9.45659 5.73338 6.57069 12.3723 8.16421 9.0018 numMergedOcc 0
65 mol 175 unq 4 iso 0 dist 9.45659 5.73338 6.57069 6.73365 5.35493 5.6234 numMergedOcc 0
66 mol 175 unq 5 iso 0 dist 6.6776 13.7028 9.0018 11.1815 7.42466 7.652 numMergedOcc 0
67 mol 175 unq 6 iso 0 dist 6.6776 10.4662 5.6234 11.1815 7.42466 9.92231 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 11.44 10.1912 5.98885 numMergedOcc 0
69 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 13.3844 8.85576 7.81386 numMergedOcc 0
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71 mol 186 unq 1 iso 0 dist 7.45401 6.8549 7.54065 11.5381 5.74635 8.87694 numMergedOcc 0
72 mol 186 unq 2 iso 0 dist 6.86297 8.03427 8.87694 10.7452 5.74635 7.54065 numMergedOcc 0
73 mol 186 unq 3 iso 0 dist 6.86297 8.03427 8.87694 13.9315 14.9058 9.70748 numMergedOcc 0
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75 mol 206 unq 1 iso 0 dist 8.73396 6.35321 7.7366 11.7176 5.63422 9.774 numMergedOcc 0
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80 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 11.1589 11.328 9.16166 numMergedOcc 0
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86 mol 236 unq 5 iso 0 dist 6.73134 5.27568 8.35971 10.8312 14.7998 6.84306 numMergedOcc 0
87 mol 236 unq 6 iso 0 dist 6.73134 5.27568 8.35971 11.2195 10.7497 9.99038 numMergedOcc 0
88 mol 236 unq 7 iso 0 dist 6.73134 5.27568 8.35971 14.0541 12.0369 9.78037 numMergedOcc 0
89 mol 236 unq 8 iso 0 dist 6.36941 8.3919 9.81562 9.97357 7.28249 8.03456 numMergedOcc 0
90 mol 236 unq 9 iso 0 dist 6.36941 4.88785 7.68742 9.97357 7.28249 6.84306 numMergedOcc 0
91 mol 236 unq 10 iso 0 dist 6.36941 10.2557 6.27581 9.97357 7.28249 9.99038 numMergedOcc 0
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99 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 11.7889 4.86771 7.84554 numMergedOcc 0
100 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 numMergedOcc 0
101 mol 259 unq 3 iso 0 dist 6.96379 12.7595 7.88519 17.4423 10.4881 9.18903 numMergedOcc 0
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103 mol 261 unq 1 iso 0 dist 7.15785 6.5875 8.02547 9.43169 5.51688 6.05727 numMergedOcc 0
104 mol 261 unq 2 iso 0 dist 9.43169 6.5875 6.05727 7.15785 5.51688 8.02547 numMergedOcc 0
105 mol 261 unq 3 iso 0 dist 9.43169 6.5875 6.05727 13.1629 4.63549 8.43057 numMergedOcc 0
106 mol 261 unq 4 iso 0 dist 8.50313 13.3163 8.45658 11.3146 7.00201 9.14619 numMergedOcc 0
107 mol 261 unq 5 iso 0 dist 7.6414 13.6041 8.45658 13.063 7.00201 9.14619 numMergedOcc 0
108 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.62923 5.40809 8.46116 numMergedOcc 0
109 mol 272 unq 1 iso 0 dist 6.62923 5.27123 8.46116 4.78812 5.40809 8.33638 numMergedOcc 0
110 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 12.5331 5.51836 6.0664 numMergedOcc 0
111 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 14.7737 10.0156 8.76532 numMergedOcc 0
112 mol 282 unq 1 iso 0 dist 8.58671 8.13794 8.04483 11.0247 5.39891 6.33524 numMergedOcc 0
113 mol 282 unq 2 iso 0 dist 6.84554 9.67023 8.76532 14.1723 10.0156 8.04483 numMergedOcc 0
114 mol 282 unq 3 iso 0 dist 6.84554 9.67023 8.76532 9.51581 4.66602 6.33524 numMergedOcc 0
115 mol 282 unq 4 iso 0 dist 9.51581 9.67023 6.33524 14.1723 5.39891 8.04483 numMergedOcc 0
116 mol 282 unq 5 iso 0 dist 9.51581 9.67023 6.33524 6.84554 4.66602 8.76532 numMergedOcc 0
