0 mol 7 unq 0 iso 0 dist 5.72491 10.789 9.55056 10.515 7.45262 6.57017 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 5.72491 10.515 7.45262 10.789 9.55056 6.57017 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 12.2708 9.55056 6.06176 7.45262 6.57017 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.88043 6.06176 7.45262 12.2708 9.55056 6.57017 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.80762 12.2708 7.57354 6.06176 6.96586 6.57017 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 8.80762 6.06176 6.96586 12.2708 7.57354 6.57017 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 6.82379 13.7792 8.94096 15.4959 9.07858 11.3346 numMergedOcc 0
7 mol 8 unq 0 iso 1 dist 6.82379 15.4959 9.07858 13.7792 8.94096 11.3346 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 6.24978 10.6893 8.94096 12.0818 9.07858 11.3346 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 6.24978 12.0818 9.07858 10.6893 8.94096 11.3346 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 9.66439 13.8882 8.94096 11.4738 9.07858 11.3346 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 9.66439 11.4738 9.07858 13.8882 8.94096 11.3346 numMergedOcc 0
12 mol 8 unq 3 iso 0 dist 7.3915 12.8924 8.94096 4.85329 9.07858 11.3346 numMergedOcc 0
13 mol 8 unq 3 iso 1 dist 7.3915 4.85329 9.07858 12.8924 8.94096 11.3346 numMergedOcc 0
14 mol 13 unq 0 iso 0 dist 5.78148 13.1699 8.00865 11.1987 9.11447 9.40499 numMergedOcc 0
15 mol 13 unq 0 iso 1 dist 5.78148 11.1987 9.11447 13.1699 8.00865 9.40499 numMergedOcc 0
16 mol 13 unq 1 iso 0 dist 6.26071 10.5634 8.00865 12.0488 9.11447 9.40499 numMergedOcc 0
17 mol 13 unq 1 iso 1 dist 6.26071 12.0488 9.11447 10.5634 8.00865 9.40499 numMergedOcc 0
18 mol 13 unq 2 iso 0 dist 8.43325 8.66829 8.00865 14.2112 9.11447 9.40499 numMergedOcc 0
19 mol 13 unq 2 iso 1 dist 8.43325 14.2112 9.11447 8.66829 8.00865 9.40499 numMergedOcc 0
20 mol 44 unq 0 iso 0 dist 7.52117 5.87283 9.17518 10.6223 8.21833 6.81119 numMergedOcc 0
21 mol 44 unq 0 iso 1 dist 7.52117 10.6223 8.21833 5.87283 9.17518 6.81119 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.99857 6.35763 9.87025 7.36192 5.85818 8.58342 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 7.99857 7.36192 5.85818 6.35763 9.87025 8.58342 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.56342 10.0197 9.87025 10.6679 5.85818 8.58342 numMergedOcc 0
25 mol 119 unq 1 iso 1 dist 8.56342 10.6679 5.85818 10.0197 9.87025 8.58342 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 9.28592 10.3933 6.82089 9.16988 5.38314 6.09983 numMergedOcc 0
27 mol 130 unq 0 iso 1 dist 9.28592 9.16988 5.38314 10.3933 6.82089 6.09983 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 7.63338 6.01455 8.1582 5.44503 9.40626 10.2334 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 7.63338 5.44503 9.40626 6.01455 8.1582 10.2334 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 10.1972 7.01133 6.46698 numMergedOcc 0
31 mol 147 unq 0 iso 1 dist 5.49226 10.1972 7.01133 5.08802 5.1101 6.46698 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 6.28351 8.59354 5.1101 8.54341 7.01133 6.46698 numMergedOcc 0
33 mol 147 unq 1 iso 1 dist 6.28351 8.54341 7.01133 8.59354 5.1101 6.46698 numMergedOcc 0
34 mol 154 unq 0 iso 0 dist 7.72144 13.9336 9.47362 6.53652 6.28417 15.1287 numMergedOcc 0
35 mol 154 unq 0 iso 1 dist 7.72144 6.53652 6.28417 13.9336 9.47362 15.1287 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 9.31851 10.5873 9.54367 4.73711 7.26859 8.88109 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 9.31851 4.73711 7.26859 10.5873 9.54367 8.88109 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 9.43259 13.2847 6.87906 5.97294 7.94975 8.88109 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 9.43259 5.97294 7.94975 13.2847 6.87906 8.88109 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 9.43259 13.2847 6.87906 16.5051 8.49473 6.29254 numMergedOcc 0
41 mol 156 unq 2 iso 1 dist 9.43259 16.5051 8.49473 13.2847 6.87906 6.29254 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 9.43259 13.2847 6.87906 13.6496 9.39865 11.878 numMergedOcc 0
43 mol 156 unq 3 iso 1 dist 9.43259 13.6496 9.39865 13.2847 6.87906 11.878 numMergedOcc 0
44 mol 156 unq 2 iso 0 dist 9.43259 5.97294 7.94975 16.5051 8.49473 13.8529 numMergedOcc 0
45 mol 156 unq 2 iso 1 dist 9.43259 16.5051 8.49473 5.97294 7.94975 13.8529 numMergedOcc 0
46 mol 156 unq 3 iso 0 dist 9.43259 5.97294 7.94975 13.6496 9.39865 10.8989 numMergedOcc 0
47 mol 156 unq 3 iso 1 dist 9.43259 13.6496 9.39865 5.97294 7.94975 10.8989 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 9.43259 16.5051 8.49473 13.6496 9.39865 15.5923 numMergedOcc 0
49 mol 156 unq 3 iso 1 dist 9.43259 13.6496 9.39865 16.5051 8.49473 15.5923 numMergedOcc 0
50 mol 156 unq 4 iso 0 dist 6.2319 13.2847 9.54367 5.97294 7.26859 8.88109 numMergedOcc 0
51 mol 156 unq 4 iso 1 dist 6.2319 5.97294 7.26859 13.2847 9.54367 8.88109 numMergedOcc 0
52 mol 156 unq 5 iso 0 dist 9.97732 14.42 9.54367 6.53729 7.26859 8.88109 numMergedOcc 0
53 mol 156 unq 5 iso 1 dist 9.97732 6.53729 7.26859 14.42 9.54367 8.88109 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 6.51749 5.4601 7.345 10.0524 9.52987 6.33699 numMergedOcc 0
55 mol 181 unq 0 iso 1 dist 6.51749 10.0524 9.52987 5.4601 7.345 6.33699 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 7.20392 6.14208 7.345 5.95965 9.52987 6.33699 numMergedOcc 0
57 mol 181 unq 1 iso 1 dist 7.20392 5.95965 9.52987 6.14208 7.345 6.33699 numMergedOcc 0
58 mol 189 unq 0 iso 0 dist 8.56355 10.3197 9.6013 11.3081 8.32712 4.7815 numMergedOcc 0
59 mol 189 unq 0 iso 1 dist 8.56355 11.3081 8.32712 10.3197 9.6013 4.7815 numMergedOcc 0
60 mol 198 unq 0 iso 0 dist 9.18635 5.72073 8.15936 9.94078 8.16598 5.17341 numMergedOcc 0
61 mol 198 unq 0 iso 1 dist 9.18635 9.94078 8.16598 5.72073 8.15936 5.17341 numMergedOcc 0
62 mol 198 unq 1 iso 0 dist 8.10985 12.2117 8.15936 10.8191 8.16598 5.17341 numMergedOcc 0
63 mol 198 unq 1 iso 1 dist 8.10985 10.8191 8.16598 12.2117 8.15936 5.17341 numMergedOcc 0
64 mol 218 unq 0 iso 0 dist 6.29367 6.05563 6.86795 8.36122 6.61099 9.17818 numMergedOcc 0
65 mol 218 unq 0 iso 1 dist 6.29367 8.36122 6.61099 6.05563 6.86795 9.17818 numMergedOcc 0
66 mol 218 unq 1 iso 0 dist 5.76954 9.68444 6.86795 7.47048 6.61099 9.17818 numMergedOcc 0
67 mol 218 unq 1 iso 1 dist 5.76954 7.47048 6.61099 9.68444 6.86795 9.17818 numMergedOcc 0
68 mol 218 unq 2 iso 0 dist 9.20961 11.4148 6.86795 12.7963 6.61099 9.17818 numMergedOcc 0
69 mol 218 unq 2 iso 1 dist 9.20961 12.7963 6.61099 11.4148 6.86795 9.17818 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 8.38865 9.60993 9.20589 13.3557 7.89801 9.97427 numMergedOcc 0
71 mol 227 unq 0 iso 1 dist 8.38865 13.3557 7.89801 9.60993 9.20589 9.97427 numMergedOcc 0
72 mol 227 unq 1 iso 0 dist 5.4694 5.34702 9.20589 8.8709 7.89801 9.97427 numMergedOcc 0
73 mol 227 unq 1 iso 1 dist 5.4694 8.8709 7.89801 5.34702 9.20589 9.97427 numMergedOcc 0
74 mol 238 unq 0 iso 0 dist 5.52379 11.6239 7.61203 13.9614 9.47845 5.39292 numMergedOcc 0
75 mol 238 unq 0 iso 1 dist 5.52379 13.9614 9.47845 11.6239 7.61203 5.39292 numMergedOcc 0
76 mol 238 unq 1 iso 0 dist 5.52379 11.6239 7.61203 12.3042 6.92409 6.32518 numMergedOcc 0
77 mol 238 unq 1 iso 1 dist 5.52379 12.3042 6.92409 11.6239 7.61203 6.32518 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 5.52379 11.6239 7.61203 5.54325 6.89694 9.50847 numMergedOcc 0
79 mol 238 unq 2 iso 1 dist 5.52379 5.54325 6.89694 11.6239 7.61203 9.50847 numMergedOcc 0
80 mol 238 unq 1 iso 0 dist 5.52379 13.9614 9.47845 12.3042 6.92409 4.83721 numMergedOcc 0
81 mol 238 unq 1 iso 1 dist 5.52379 12.3042 6.92409 13.9614 9.47845 4.83721 numMergedOcc 0
82 mol 238 unq 2 iso 0 dist 5.52379 13.9614 9.47845 5.54325 6.89694 13.7203 numMergedOcc 0
83 mol 238 unq 2 iso 1 dist 5.52379 5.54325 6.89694 13.9614 9.47845 13.7203 numMergedOcc 0
84 mol 238 unq 2 iso 0 dist 5.52379 12.3042 6.92409 5.54325 6.89694 12.6266 numMergedOcc 0
85 mol 238 unq 2 iso 1 dist 5.52379 5.54325 6.89694 12.3042 6.92409 12.6266 numMergedOcc 0
86 mol 238 unq 3 iso 0 dist 5.64181 10.4664 8.6597 11.2717 7.47235 6.44245 numMergedOcc 0
87 mol 238 unq 3 iso 1 dist 5.64181 11.2717 7.47235 10.4664 8.6597 6.44245 numMergedOcc 0
88 mol 238 unq 4 iso 0 dist 5.64181 10.4664 8.6597 5.17471 6.44735 12.1411 numMergedOcc 0
89 mol 238 unq 4 iso 1 dist 5.64181 5.17471 6.44735 10.4664 8.6597 12.1411 numMergedOcc 0
90 mol 238 unq 5 iso 0 dist 5.64181 10.4664 8.6597 5.03393 5.91208 13.7867 numMergedOcc 0
91 mol 238 unq 5 iso 1 dist 5.64181 5.03393 5.91208 10.4664 8.6597 13.7867 numMergedOcc 0
92 mol 238 unq 4 iso 0 dist 5.64181 11.2717 7.47235 5.17471 6.44735 10.1756 numMergedOcc 0
93 mol 238 unq 4 iso 1 dist 5.64181 5.17471 6.44735 11.2717 7.47235 10.1756 numMergedOcc 0
94 mol 238 unq 5 iso 0 dist 5.64181 11.2717 7.47235 5.03393 5.91208 13.0634 numMergedOcc 0
95 mol 238 unq 5 iso 1 dist 5.64181 5.03393 5.91208 11.2717 7.47235 13.0634 numMergedOcc 0
96 mol 238 unq 5 iso 0 dist 5.64181 5.17471 6.44735 5.03393 5.91208 6.34909 numMergedOcc 0
97 mol 238 unq 5 iso 1 dist 5.64181 5.03393 5.91208 5.17471 6.44735 6.34909 numMergedOcc 0
98 mol 238 unq 6 iso 0 dist 7.61393 13.3539 8.6597 14.7509 7.47235 6.44245 numMergedOcc 0
99 mol 238 unq 6 iso 1 dist 7.61393 14.7509 7.47235 13.3539 8.6597 6.44245 numMergedOcc 0
100 mol 238 unq 7 iso 0 dist 7.61393 13.3539 8.6597 10.7999 6.44735 12.1411 numMergedOcc 0
101 mol 238 unq 7 iso 1 dist 7.61393 10.7999 6.44735 13.3539 8.6597 12.1411 numMergedOcc 0
102 mol 238 unq 8 iso 0 dist 7.61393 13.3539 8.6597 5.49433 5.91208 13.7867 numMergedOcc 0
103 mol 238 unq 8 iso 1 dist 7.61393 5.49433 5.91208 13.3539 8.6597 13.7867 numMergedOcc 0
104 mol 238 unq 7 iso 0 dist 7.61393 14.7509 7.47235 10.7999 6.44735 10.1756 numMergedOcc 0
105 mol 238 unq 7 iso 1 dist 7.61393 10.7999 6.44735 14.7509 7.47235 10.1756 numMergedOcc 0
106 mol 238 unq 8 iso 0 dist 7.61393 14.7509 7.47235 5.49433 5.91208 13.0634 numMergedOcc 0
107 mol 238 unq 8 iso 1 dist 7.61393 5.49433 5.91208 14.7509 7.47235 13.0634 numMergedOcc 0
108 mol 238 unq 8 iso 0 dist 7.61393 10.7999 6.44735 5.49433 5.91208 6.34909 numMergedOcc 0
109 mol 238 unq 8 iso 1 dist 7.61393 5.49433 5.91208 10.7999 6.44735 6.34909 numMergedOcc 0
110 mol 239 unq 0 iso 0 dist 8.67805 10.0774 7.18771 9.8202 7.94894 4.89061 numMergedOcc 0
111 mol 239 unq 0 iso 1 dist 8.67805 9.8202 7.94894 10.0774 7.18771 4.89061 numMergedOcc 0
112 mol 240 unq 0 iso 0 dist 9.47583 10.7371 8.33853 13.9225 5.66537 7.50503 numMergedOcc 0
113 mol 240 unq 0 iso 1 dist 9.47583 13.9225 5.66537 10.7371 8.33853 7.50503 numMergedOcc 0
114 mol 240 unq 1 iso 0 dist 8.44909 7.75407 8.33853 12.076 5.66537 7.50503 numMergedOcc 0
115 mol 240 unq 1 iso 1 dist 8.44909 12.076 5.66537 7.75407 8.33853 7.50503 numMergedOcc 0
116 mol 252 unq 0 iso 0 dist 8.47784 4.23801 5.2361 13.6996 5.57515 9.93756 numMergedOcc 0
117 mol 252 unq 0 iso 1 dist 8.47784 13.6996 5.57515 4.23801 5.2361 9.93756 numMergedOcc 0
118 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 15.4395 8.28694 11.2543 numMergedOcc 0
119 mol 252 unq 1 iso 1 dist 8.47784 15.4395 8.28694 4.23801 5.2361 11.2543 numMergedOcc 0
120 mol 252 unq 1 iso 0 dist 8.47784 13.6996 5.57515 15.4395 8.28694 4.79679 numMergedOcc 0
121 mol 252 unq 1 iso 1 dist 8.47784 15.4395 8.28694 13.6996 5.57515 4.79679 numMergedOcc 0
122 mol 252 unq 2 iso 0 dist 8.66469 9.12442 5.2361 7.35945 5.57515 9.93756 numMergedOcc 0
123 mol 252 unq 2 iso 1 dist 8.66469 7.35945 5.57515 9.12442 5.2361 9.93756 numMergedOcc 0
124 mol 252 unq 3 iso 0 dist 8.66469 9.12442 5.2361 5.26003 8.28694 11.2543 numMergedOcc 0
125 mol 252 unq 3 iso 1 dist 8.66469 5.26003 8.28694 9.12442 5.2361 11.2543 numMergedOcc 0
126 mol 252 unq 3 iso 0 dist 8.66469 7.35945 5.57515 5.26003 8.28694 4.79679 numMergedOcc 0
127 mol 252 unq 3 iso 1 dist 8.66469 5.26003 8.28694 7.35945 5.57515 4.79679 numMergedOcc 0
128 mol 282 unq 0 iso 0 dist 5.23193 7.30164 9.96468 8.36249 9.59817 5.50511 numMergedOcc 0
129 mol 282 unq 0 iso 1 dist 5.23193 8.36249 9.59817 7.30164 9.96468 5.50511 numMergedOcc 0
