0 mol 8 unq 0 iso 0 dist 9.00925 8.89145 5.7343 6.92865 11.3728 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.00925 6.92865 11.3728 8.89145 5.7343 8.02605 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.31149 9.04834 9.14256 8.17898 7.59626 10.2656 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 9.31149 8.17898 7.59626 9.04834 9.14256 10.2656 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 9.26685 6.53817 11.7814 9.81769 14.8418 5.14154 numMergedOcc 0
5 mol 17 unq 0 iso 1 dist 9.26685 9.81769 14.8418 6.53817 11.7814 5.14154 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.3147 7.78708 9.38012 7.84393 10.5285 8.01051 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 9.3147 7.84393 10.5285 7.78708 9.38012 8.01051 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.79426 7.78708 9.55318 7.84393 9.84922 8.01051 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 9.79426 7.84393 9.84922 7.78708 9.55318 8.01051 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 7.02352 9.96083 9.21892 numMergedOcc 0
11 mol 64 unq 0 iso 1 dist 9.3473 7.02352 9.96083 9.10915 9.82646 9.21892 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 8.52371 13.689 10.149 numMergedOcc 0
13 mol 69 unq 0 iso 1 dist 8.36667 8.52371 13.689 8.24121 14.9981 10.149 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 8.36667 8.24121 14.9981 6.8198 5.23597 12.0119 numMergedOcc 0
15 mol 69 unq 1 iso 1 dist 8.36667 6.8198 5.23597 8.24121 14.9981 12.0119 numMergedOcc 0
16 mol 69 unq 1 iso 0 dist 8.36667 8.52371 13.689 6.8198 5.23597 9.16015 numMergedOcc 0
17 mol 69 unq 1 iso 1 dist 8.36667 6.8198 5.23597 8.52371 13.689 9.16015 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 6.30194 5.2774 5.7113 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 5.39171 6.30194 5.2774 4.24428 8.04817 5.7113 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.27355 4.24428 9.76331 6.30194 5.44275 5.7113 numMergedOcc 0
21 mol 73 unq 1 iso 1 dist 9.27355 6.30194 5.44275 4.24428 9.76331 5.7113 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 8.60363 4.24428 10.4402 6.30194 8.0624 5.7113 numMergedOcc 0
23 mol 73 unq 2 iso 1 dist 8.60363 6.30194 8.0624 4.24428 10.4402 5.7113 numMergedOcc 0
24 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 8.24814 4.67917 5.64643 numMergedOcc 0
25 mol 75 unq 0 iso 1 dist 7.89636 8.24814 4.67917 7.118 6.33557 5.64643 numMergedOcc 0
26 mol 75 unq 1 iso 0 dist 9.49608 7.118 9.95193 8.24814 5.10798 5.64643 numMergedOcc 0
27 mol 75 unq 1 iso 1 dist 9.49608 8.24814 5.10798 7.118 9.95193 5.64643 numMergedOcc 0
28 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 numMergedOcc 0
29 mol 87 unq 0 iso 1 dist 9.10245 8.91602 11.6194 5.26938 5.39287 7.40574 numMergedOcc 0
30 mol 102 unq 0 iso 0 dist 8.63522 7.48277 10.8684 9.0361 10.2218 9.15076 numMergedOcc 0
31 mol 102 unq 0 iso 1 dist 8.63522 9.0361 10.2218 7.48277 10.8684 9.15076 numMergedOcc 0
32 mol 102 unq 1 iso 0 dist 5.43401 7.48277 9.76734 9.0361 8.17186 9.15076 numMergedOcc 0
33 mol 102 unq 1 iso 1 dist 5.43401 9.0361 8.17186 7.48277 9.76734 9.15076 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 8.35604 5.39296 10.2788 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 7.67341 8.35604 5.39296 8.93552 11.909 10.2788 numMergedOcc 0
36 mol 127 unq 0 iso 0 dist 8.98151 6.65963 5.38 8.62711 6.75619 7.30196 numMergedOcc 0
37 mol 127 unq 0 iso 1 dist 8.98151 8.62711 6.75619 6.65963 5.38 7.30196 numMergedOcc 0
38 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 5.44596 4.83408 6.43459 numMergedOcc 0
39 mol 140 unq 0 iso 1 dist 9.92335 5.44596 4.83408 9.41832 8.78908 6.43459 numMergedOcc 0
40 mol 140 unq 1 iso 0 dist 9.92335 9.41832 8.78908 9.69069 12.2686 8.90548 numMergedOcc 0
41 mol 140 unq 1 iso 1 dist 9.92335 9.69069 12.2686 9.41832 8.78908 8.90548 numMergedOcc 0
42 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 9.69069 12.2686 9.87462 numMergedOcc 0
43 mol 140 unq 1 iso 1 dist 9.92335 9.69069 12.2686 5.44596 4.83408 9.87462 numMergedOcc 0
44 mol 162 unq 0 iso 0 dist 8.98459 9.89142 6.89489 8.06091 11.0054 10.4637 numMergedOcc 0
45 mol 162 unq 0 iso 1 dist 8.98459 8.06091 11.0054 9.89142 6.89489 10.4637 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 9.45659 11.0866 5.35493 numMergedOcc 0
47 mol 175 unq 0 iso 1 dist 8.6609 9.45659 11.0866 6.73365 6.15969 5.35493 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 8.6609 6.73365 6.15969 9.44856 13.5907 9.63234 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 8.6609 9.44856 13.5907 6.73365 6.15969 9.63234 numMergedOcc 0
50 mol 175 unq 1 iso 0 dist 8.6609 9.45659 11.0866 9.44856 13.5907 6.80157 numMergedOcc 0
51 mol 175 unq 1 iso 1 dist 8.6609 9.44856 13.5907 9.45659 11.0866 6.80157 numMergedOcc 0
52 mol 175 unq 2 iso 0 dist 6.21546 6.73365 5.50014 9.45659 7.39186 5.35493 numMergedOcc 0
53 mol 175 unq 2 iso 1 dist 6.21546 9.45659 7.39186 6.73365 5.50014 5.35493 numMergedOcc 0
54 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 9.44856 7.05768 9.63234 numMergedOcc 0
55 mol 175 unq 3 iso 1 dist 6.21546 9.44856 7.05768 6.73365 5.50014 9.63234 numMergedOcc 0
56 mol 175 unq 3 iso 0 dist 6.21546 9.45659 7.39186 9.44856 7.05768 6.80157 numMergedOcc 0
57 mol 175 unq 3 iso 1 dist 6.21546 9.44856 7.05768 9.45659 7.39186 6.80157 numMergedOcc 0
58 mol 175 unq 4 iso 0 dist 6.03184 6.73365 7.28617 9.45659 5.77256 5.35493 numMergedOcc 0
59 mol 175 unq 4 iso 1 dist 6.03184 9.45659 5.77256 6.73365 7.28617 5.35493 numMergedOcc 0
60 mol 175 unq 5 iso 0 dist 6.03184 6.73365 7.28617 9.44856 4.96871 9.63234 numMergedOcc 0
61 mol 175 unq 5 iso 1 dist 6.03184 9.44856 4.96871 6.73365 7.28617 9.63234 numMergedOcc 0
62 mol 175 unq 5 iso 0 dist 6.03184 9.45659 5.77256 9.44856 4.96871 6.80157 numMergedOcc 0
63 mol 175 unq 5 iso 1 dist 6.03184 9.44856 4.96871 9.45659 5.77256 6.80157 numMergedOcc 0
64 mol 212 unq 0 iso 0 dist 9.26387 9.1384 8.61765 7.87125 9.7586 4.12932 numMergedOcc 0
65 mol 212 unq 0 iso 1 dist 9.26387 7.87125 9.7586 9.1384 8.61765 4.12932 numMergedOcc 0
66 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 7.24832 5.48556 7.02195 numMergedOcc 0
67 mol 219 unq 0 iso 1 dist 4.67452 7.24832 5.48556 8.09769 10.0509 7.02195 numMergedOcc 0
68 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 7.29796 5.23846 6.89336 numMergedOcc 0
69 mol 220 unq 0 iso 1 dist 7.35148 7.29796 5.23846 7.30244 10.48 6.89336 numMergedOcc 0
70 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 7.34316 8.16187 12.3422 numMergedOcc 0
71 mol 223 unq 0 iso 1 dist 9.29204 7.34316 8.16187 9.94212 18.385 12.3422 numMergedOcc 0
72 mol 223 unq 1 iso 0 dist 9.14789 9.94212 19.0281 7.34316 11.2364 12.3422 numMergedOcc 0
73 mol 223 unq 1 iso 1 dist 9.14789 7.34316 11.2364 9.94212 19.0281 12.3422 numMergedOcc 0
74 mol 223 unq 2 iso 0 dist 7.80764 9.94212 4.67731 7.34316 11.4951 12.3422 numMergedOcc 0
75 mol 223 unq 2 iso 1 dist 7.80764 7.34316 11.4951 9.94212 4.67731 12.3422 numMergedOcc 0
76 mol 223 unq 3 iso 0 dist 5.75896 9.94212 7.19485 7.34316 5.18719 12.3422 numMergedOcc 0
77 mol 223 unq 3 iso 1 dist 5.75896 7.34316 5.18719 9.94212 7.19485 12.3422 numMergedOcc 0
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79 mol 230 unq 0 iso 1 dist 6.23346 9.23938 7.7551 8.56954 5.53578 5.53477 numMergedOcc 0
80 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 9.30906 5.4427 5.46301 numMergedOcc 0
81 mol 230 unq 1 iso 1 dist 7.43793 9.30906 5.4427 9.12305 6.87235 5.46301 numMergedOcc 0
82 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 9.30906 5.52842 5.46301 numMergedOcc 0
83 mol 230 unq 2 iso 1 dist 8.4739 9.30906 5.52842 9.12305 9.94041 5.46301 numMergedOcc 0
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85 mol 238 unq 0 iso 1 dist 6.74214 7.98022 6.62361 8.89538 10.4952 13.0839 numMergedOcc 0
86 mol 238 unq 1 iso 0 dist 5.33462 8.89538 7.22173 7.98022 5.96552 13.0839 numMergedOcc 0
87 mol 238 unq 1 iso 1 dist 5.33462 7.98022 5.96552 8.89538 7.22173 13.0839 numMergedOcc 0
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89 mol 258 unq 0 iso 1 dist 6.08181 8.81059 13.8694 9.67877 5.09738 17.2075 numMergedOcc 0
90 mol 258 unq 1 iso 0 dist 6.08181 9.67877 5.09738 9.12006 14.0402 18.4031 numMergedOcc 0
91 mol 258 unq 1 iso 1 dist 6.08181 9.12006 14.0402 9.67877 5.09738 18.4031 numMergedOcc 0
92 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 9.12006 14.0402 5.30627 numMergedOcc 0
93 mol 258 unq 1 iso 1 dist 6.08181 9.12006 14.0402 8.81059 13.8694 5.30627 numMergedOcc 0
94 mol 258 unq 2 iso 0 dist 7.70189 9.67877 10.4667 8.81059 9.22664 17.2075 numMergedOcc 0
95 mol 258 unq 2 iso 1 dist 7.70189 8.81059 9.22664 9.67877 10.4667 17.2075 numMergedOcc 0
96 mol 258 unq 3 iso 0 dist 7.70189 9.67877 10.4667 9.12006 13.0489 18.4031 numMergedOcc 0
97 mol 258 unq 3 iso 1 dist 7.70189 9.12006 13.0489 9.67877 10.4667 18.4031 numMergedOcc 0
98 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 9.12006 13.0489 5.30627 numMergedOcc 0
99 mol 258 unq 3 iso 1 dist 7.70189 9.12006 13.0489 8.81059 9.22664 5.30627 numMergedOcc 0
100 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 9.43169 8.80293 5.51688 numMergedOcc 0
101 mol 261 unq 0 iso 1 dist 6.41477 9.43169 8.80293 7.15785 4.50761 5.51688 numMergedOcc 0
102 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 6.62923 7.55961 5.40809 numMergedOcc 0
103 mol 272 unq 0 iso 1 dist 7.50321 6.62923 7.55961 4.78812 5.96981 5.40809 numMergedOcc 0
104 mol 272 unq 1 iso 0 dist 9.61597 4.78812 6.76845 6.62923 5.43733 5.40809 numMergedOcc 0
105 mol 272 unq 1 iso 1 dist 9.61597 6.62923 5.43733 4.78812 6.76845 5.40809 numMergedOcc 0
106 mol 274 unq 0 iso 0 dist 6.44266 9.79674 9.61244 8.3291 6.57235 9.12834 numMergedOcc 0
107 mol 274 unq 0 iso 1 dist 6.44266 8.3291 6.57235 9.79674 9.61244 9.12834 numMergedOcc 0
108 mol 274 unq 1 iso 0 dist 8.75703 9.79674 10.7877 8.3291 4.97216 9.12834 numMergedOcc 0
109 mol 274 unq 1 iso 1 dist 8.75703 8.3291 4.97216 9.79674 10.7877 9.12834 numMergedOcc 0
110 mol 276 unq 0 iso 0 dist 9.68846 8.95876 13.702 8.259 6.21925 8.61035 numMergedOcc 0
111 mol 276 unq 0 iso 1 dist 9.68846 8.259 6.21925 8.95876 13.702 8.61035 numMergedOcc 0
112 mol 276 unq 1 iso 0 dist 8.14494 8.28881 12.431 5.30976 9.95911 8.56707 numMergedOcc 0
113 mol 276 unq 1 iso 1 dist 8.14494 5.30976 9.95911 8.28881 12.431 8.56707 numMergedOcc 0
114 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 9.51581 5.04235 4.66602 numMergedOcc 0
115 mol 282 unq 0 iso 1 dist 7.93511 9.51581 5.04235 6.84554 4.58403 4.66602 numMergedOcc 0
