0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 5.11636 7.95042 10.9819 12.6165 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 5.11636 7.95042 10.9819 12.7305 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 11.6226 8.09311 16.0162 12.6165 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 13.1949 9.05357 16.8554 12.7305 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.6114 5.86705 6.10919 4.77954 7.99919 11.0249 10.8668 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 6.75943 4.96926 5.41726 5.07458 6.66407 10.0168 8.34145 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 6.75943 4.96926 10.0383 5.07458 6.66407 10.9975 8.34145 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 5.69391 9.55118 13.6019 10.6668 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 13.4212 9.10345 18.0706 13.9797 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 7.47371 7.12321 6.21799 10.6668 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 9.96708 9.78528 8.24309 9.10345 13.4212 11.6634 7.47371 7.12321 6.21799 13.9797 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 7.47371 6.21799 7.12321 10.6668 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 9.67587 5.03251 9.35457 12.6707 numMergedOcc 0
13 mol 72 unq 6 iso 0 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 7.07356 7.66093 12.1131 13.7925 numMergedOcc 0
14 mol 72 unq 7 iso 0 dist 9.78528 9.96708 8.24309 9.10345 11.6634 13.4212 7.47371 6.21799 7.12321 13.9797 numMergedOcc 0
15 mol 72 unq 8 iso 0 dist 9.78528 9.96708 8.24309 9.10345 11.6634 13.4212 9.67587 5.03251 9.35457 14.9302 numMergedOcc 0
16 mol 72 unq 9 iso 0 dist 9.78528 9.96708 8.24309 9.10345 11.6634 13.4212 7.07356 7.66093 12.1131 13.1216 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 15.6249 8.27883 15.6447 17.5698 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 12.4896 5.75428 14.0772 17.0645 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 14.2178 8.57395 14.1515 17.8653 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 8.78079 9.85409 10.3132 14.0648 numMergedOcc 0
21 mol 95 unq 4 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 15.6249 8.27883 15.6447 9.9573 numMergedOcc 0
22 mol 95 unq 5 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 12.4896 5.75428 14.0772 10.0817 numMergedOcc 0
23 mol 95 unq 6 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 14.2178 8.57395 14.1515 11.7225 numMergedOcc 0
24 mol 95 unq 7 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 8.78079 9.85409 10.3132 12.4057 numMergedOcc 0
25 mol 95 unq 8 iso 0 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 11.3215 9.3948 19.7448 17.5698 numMergedOcc 0
26 mol 95 unq 9 iso 0 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 5.06946 9.74607 11.97 9.9573 numMergedOcc 0
27 mol 95 unq 10 iso 0 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 11.3215 9.3948 19.7448 17.0645 numMergedOcc 0
28 mol 95 unq 11 iso 0 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 5.06946 9.74607 11.97 10.0817 numMergedOcc 0
29 mol 95 unq 12 iso 0 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 11.3215 9.3948 19.7448 17.8653 numMergedOcc 0
30 mol 95 unq 13 iso 0 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 5.06946 9.74607 11.97 11.7225 numMergedOcc 0
31 mol 95 unq 14 iso 0 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 11.3215 9.3948 19.7448 14.0648 numMergedOcc 0
32 mol 95 unq 15 iso 0 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 5.06946 9.74607 11.97 12.4057 numMergedOcc 0
33 mol 95 unq 16 iso 0 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 11.3215 9.3948 19.9408 17.5698 numMergedOcc 0
34 mol 95 unq 17 iso 0 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 5.06946 9.74607 13.5721 9.9573 numMergedOcc 0
35 mol 95 unq 18 iso 0 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 11.3215 9.3948 19.9408 17.0645 numMergedOcc 0
36 mol 95 unq 19 iso 0 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 5.06946 9.74607 13.5721 10.0817 numMergedOcc 0
37 mol 95 unq 20 iso 0 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 11.3215 9.3948 19.9408 17.8653 numMergedOcc 0
38 mol 95 unq 21 iso 0 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 5.06946 9.74607 13.5721 11.7225 numMergedOcc 0
39 mol 95 unq 22 iso 0 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 11.3215 9.3948 19.9408 14.0648 numMergedOcc 0
40 mol 95 unq 23 iso 0 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 5.06946 9.74607 13.5721 12.4057 numMergedOcc 0
41 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 7.69765 10.3209 4.48636 5.03039 6.04595 10.5599 10.9431 numMergedOcc 0
42 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 9.42082 15.3161 6.63111 5.03039 6.04595 10.5599 14.3113 numMergedOcc 0
43 mol 115 unq 2 iso 0 dist 7.30858 7.88312 11.5723 7.69765 10.3209 11.835 5.03039 6.04595 11.8378 10.9431 numMergedOcc 0
44 mol 115 unq 3 iso 0 dist 7.30858 7.88312 11.5723 9.42082 15.3161 6.07067 5.03039 6.04595 11.8378 14.3113 numMergedOcc 0
45 mol 115 unq 4 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 6.95773 6.24825 10.0255 7.65564 numMergedOcc 0
46 mol 115 unq 5 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 6.63111 6.39384 9.42082 7.65564 numMergedOcc 0
47 mol 115 unq 6 iso 0 dist 5.83991 7.30858 10.8507 7.69765 4.48636 10.3209 6.01673 6.24825 13.22 9.0534 numMergedOcc 0
48 mol 115 unq 7 iso 0 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 6.01673 6.24825 13.22 7.65564 numMergedOcc 0
49 mol 115 unq 8 iso 0 dist 5.83991 7.88312 8.02349 7.69765 4.48636 11.835 6.01673 6.24825 10.0255 9.0534 numMergedOcc 0
50 mol 115 unq 9 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 6.01673 6.24825 10.0255 7.65564 numMergedOcc 0
51 mol 115 unq 10 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 4.48636 7.69765 13.4105 9.0534 numMergedOcc 0
52 mol 115 unq 11 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 6.63111 9.42082 6.39384 7.65564 numMergedOcc 0
53 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 8.84018 7.20875 3.77029 10.5783 6.10127 11.6387 12.9113 numMergedOcc 0
54 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 8.84018 7.20875 5.21535 10.5783 6.10127 14.762 12.9113 numMergedOcc 0
55 mol 117 unq 2 iso 0 dist 7.90328 9.84395 13.1058 6.10127 10.5783 6.57678 7.20875 8.84018 16.804 12.9113 numMergedOcc 0
56 mol 117 unq 3 iso 0 dist 7.83136 7.90328 7.22206 8.84018 3.77029 7.20875 3.55765 8.19331 10.4223 10.2505 numMergedOcc 0
57 mol 117 unq 4 iso 0 dist 7.83136 7.0603 7.21564 8.84018 3.77029 5.21535 3.55765 8.19331 8.85711 10.2505 numMergedOcc 0
58 mol 117 unq 5 iso 0 dist 7.0603 7.90328 9.3584 8.84018 5.21535 7.20875 3.55765 8.85711 10.4223 10.2505 numMergedOcc 0
59 mol 117 unq 6 iso 0 dist 7.0603 7.83136 7.21564 8.84018 5.21535 3.77029 3.55765 8.85711 8.19331 10.2505 numMergedOcc 0
60 mol 133 unq 0 iso 0 dist 8.22656 7.24514 6.65743 8.26547 4.88025 5.03174 6.9945 7.22643 10.4642 7.48208 numMergedOcc 0
61 mol 133 unq 1 iso 0 dist 8.22656 6.82262 5.61668 7.22643 6.9945 4.19723 4.88025 8.26547 9.05342 7.48208 numMergedOcc 0
62 mol 133 unq 2 iso 0 dist 6.82262 8.22656 5.61668 7.22643 4.19723 6.9945 4.88025 9.05342 8.26547 7.48208 numMergedOcc 0
63 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 7.41373 9.33094 8.69531 8.62504 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 8.06642 7.21868 7.93372 8.62504 numMergedOcc 0
65 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 8.06642 7.21868 11.988 8.62504 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 10.8635 9.33094 8.69531 15.9693 numMergedOcc 0
67 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 10.8635 9.33094 8.69531 8.62504 numMergedOcc 0
68 mol 134 unq 5 iso 0 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 6.95573 9.33924 13.9752 15.9693 numMergedOcc 0
69 mol 134 unq 6 iso 0 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 8.06642 7.93372 7.21868 8.62504 numMergedOcc 0
70 mol 134 unq 7 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 6.95573 9.33924 9.55584 15.9693 numMergedOcc 0
71 mol 134 unq 8 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 8.06642 7.93372 11.988 8.62504 numMergedOcc 0
72 mol 134 unq 9 iso 0 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 12.8086 9.1998 11.0808 11.2397 numMergedOcc 0
73 mol 134 unq 10 iso 0 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 7.41373 8.69531 9.33094 8.62504 numMergedOcc 0
74 mol 134 unq 11 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 4.00092 7.21868 7.93372 11.2397 numMergedOcc 0
75 mol 134 unq 12 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 4.00092 7.21868 7.93372 8.62504 numMergedOcc 0
76 mol 134 unq 13 iso 0 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 15.0225 9.1998 11.0808 17.0908 numMergedOcc 0
77 mol 134 unq 14 iso 0 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 10.8635 8.69531 9.33094 15.9693 numMergedOcc 0
78 mol 134 unq 15 iso 0 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 15.0225 9.1998 11.0808 11.2397 numMergedOcc 0
79 mol 134 unq 16 iso 0 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 10.8635 8.69531 9.33094 8.62504 numMergedOcc 0
80 mol 134 unq 17 iso 0 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 10.2026 9.33924 13.9752 17.0908 numMergedOcc 0
81 mol 134 unq 18 iso 0 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 4.00092 7.93372 7.21868 11.2397 numMergedOcc 0
82 mol 134 unq 19 iso 0 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 10.2026 9.33924 13.9752 15.9693 numMergedOcc 0
83 mol 134 unq 20 iso 0 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 4.00092 7.93372 7.21868 8.62504 numMergedOcc 0
84 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 9.11204 8.44333 6.8202 6.42973 7.06025 10.0638 9.32938 numMergedOcc 0
85 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 9.11204 8.44333 14.9499 6.42973 7.06025 13.2692 9.32938 numMergedOcc 0
86 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 9.11204 8.44333 14.2467 6.42973 7.06025 15.0672 9.32938 numMergedOcc 0
87 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 9.08509 11.0772 12.7938 10.3162 9.12776 8.69015 9.51483 numMergedOcc 0
88 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 9.07743 8.8603 6.73882 12.2293 9.46361 18.7675 17.0531 numMergedOcc 0
89 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 8.8603 9.07743 7.66153 17.0531 numMergedOcc 0
90 mol 259 unq 2 iso 0 dist 7.88519 7.84554 4.86771 9.63573 7.20604 5.05362 11.6988 9.46361 12.8903 11.2395 numMergedOcc 0
91 mol 259 unq 3 iso 0 dist 7.88519 7.84554 4.86771 7.66153 8.8603 5.8801 11.6988 9.46361 12.8903 17.0531 numMergedOcc 0
92 mol 259 unq 4 iso 0 dist 7.88519 7.46176 6.96053 9.63573 7.20604 5.21606 11.6988 9.46361 6.95511 11.2395 numMergedOcc 0
93 mol 259 unq 5 iso 0 dist 7.88519 7.46176 6.96053 7.66153 8.8603 11.8896 11.6988 9.46361 6.95511 17.0531 numMergedOcc 0
94 mol 259 unq 6 iso 0 dist 7.88519 9.18903 10.4881 9.63573 7.20604 7.46841 11.6988 9.46361 17.104 11.2395 numMergedOcc 0
95 mol 259 unq 7 iso 0 dist 7.88519 9.18903 10.4881 7.66153 8.8603 5.81576 11.6988 9.46361 17.104 17.0531 numMergedOcc 0
96 mol 259 unq 8 iso 0 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 7.20604 9.63573 12.8229 11.2395 numMergedOcc 0
97 mol 259 unq 9 iso 0 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 8.8603 7.66153 9.07743 17.0531 numMergedOcc 0
98 mol 259 unq 10 iso 0 dist 7.46176 7.88519 6.96053 9.63573 5.21606 7.20604 10.067 5.85442 10.3406 10.9441 numMergedOcc 0
99 mol 259 unq 11 iso 0 dist 7.46176 7.88519 6.96053 9.63573 5.21606 7.20604 11.6988 6.95511 9.46361 11.2395 numMergedOcc 0
100 mol 259 unq 12 iso 0 dist 7.46176 7.88519 6.96053 7.66153 11.8896 8.8603 10.067 5.85442 10.3406 16.4118 numMergedOcc 0
101 mol 259 unq 13 iso 0 dist 7.46176 7.88519 6.96053 7.66153 11.8896 8.8603 11.6988 6.95511 9.46361 17.0531 numMergedOcc 0
102 mol 259 unq 14 iso 0 dist 7.46176 7.84554 7.64658 9.63573 5.21606 5.05362 10.067 5.85442 12.8546 10.9441 numMergedOcc 0
103 mol 259 unq 15 iso 0 dist 7.46176 7.84554 7.64658 9.63573 5.21606 5.05362 11.6988 6.95511 12.8903 11.2395 numMergedOcc 0
104 mol 259 unq 16 iso 0 dist 7.46176 7.84554 7.64658 7.66153 11.8896 5.8801 10.067 5.85442 12.8546 16.4118 numMergedOcc 0
105 mol 259 unq 17 iso 0 dist 7.46176 7.84554 7.64658 7.66153 11.8896 5.8801 11.6988 6.95511 12.8903 17.0531 numMergedOcc 0
106 mol 259 unq 18 iso 0 dist 7.46176 9.18903 10.5239 9.63573 5.21606 7.46841 10.067 5.85442 16.0301 10.9441 numMergedOcc 0
107 mol 259 unq 19 iso 0 dist 7.46176 9.18903 10.5239 9.63573 5.21606 7.46841 11.6988 6.95511 17.104 11.2395 numMergedOcc 0
108 mol 259 unq 20 iso 0 dist 7.46176 9.18903 10.5239 7.66153 11.8896 5.81576 10.067 5.85442 16.0301 16.4118 numMergedOcc 0
109 mol 259 unq 21 iso 0 dist 7.46176 9.18903 10.5239 7.66153 11.8896 5.81576 11.6988 6.95511 17.104 17.0531 numMergedOcc 0
