0 mol 7 unq 0 iso 0 dist 5.72491 12.2041 7.88043 10.789 9.55056 12.2708 10.515 7.45262 6.06176 6.57017 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 5.72491 12.2041 7.88043 10.515 7.45262 6.06176 10.789 9.55056 12.2708 6.57017 numMergedOcc 0
2 mol 7 unq 0 iso 2 dist 7.88043 12.2041 5.72491 12.2708 9.55056 10.789 6.06176 7.45262 10.515 6.57017 numMergedOcc 0
3 mol 7 unq 0 iso 3 dist 7.88043 12.2041 5.72491 6.06176 7.45262 10.515 12.2708 9.55056 10.789 6.57017 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.82379 6.94408 6.24978 13.7792 8.94096 10.6893 15.4959 9.07858 12.0818 11.3346 numMergedOcc 0
5 mol 8 unq 0 iso 1 dist 6.82379 6.94408 6.24978 15.4959 9.07858 12.0818 13.7792 8.94096 10.6893 11.3346 numMergedOcc 0
6 mol 8 unq 0 iso 2 dist 6.24978 6.94408 6.82379 10.6893 8.94096 13.7792 12.0818 9.07858 15.4959 11.3346 numMergedOcc 0
7 mol 8 unq 0 iso 3 dist 6.24978 6.94408 6.82379 12.0818 9.07858 15.4959 10.6893 8.94096 13.7792 11.3346 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 6.82379 11.2508 9.66439 13.7792 8.94096 13.8882 15.4959 9.07858 11.4738 11.3346 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 6.82379 11.2508 9.66439 15.4959 9.07858 11.4738 13.7792 8.94096 13.8882 11.3346 numMergedOcc 0
10 mol 8 unq 1 iso 2 dist 9.66439 11.2508 6.82379 13.8882 8.94096 13.7792 11.4738 9.07858 15.4959 11.3346 numMergedOcc 0
11 mol 8 unq 1 iso 3 dist 9.66439 11.2508 6.82379 11.4738 9.07858 15.4959 13.8882 8.94096 13.7792 11.3346 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 6.82379 12.4076 7.3915 13.7792 8.94096 12.8924 15.4959 9.07858 4.85329 11.3346 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 6.82379 12.4076 7.3915 15.4959 9.07858 4.85329 13.7792 8.94096 12.8924 11.3346 numMergedOcc 0
14 mol 8 unq 2 iso 2 dist 7.3915 12.4076 6.82379 12.8924 8.94096 13.7792 4.85329 9.07858 15.4959 11.3346 numMergedOcc 0
15 mol 8 unq 2 iso 3 dist 7.3915 12.4076 6.82379 4.85329 9.07858 15.4959 12.8924 8.94096 13.7792 11.3346 numMergedOcc 0
16 mol 8 unq 1 iso 0 dist 6.24978 5.3787 9.66439 10.6893 8.94096 13.8882 12.0818 9.07858 11.4738 11.3346 numMergedOcc 0
17 mol 8 unq 1 iso 1 dist 6.24978 5.3787 9.66439 12.0818 9.07858 11.4738 10.6893 8.94096 13.8882 11.3346 numMergedOcc 0
18 mol 8 unq 1 iso 2 dist 9.66439 5.3787 6.24978 13.8882 8.94096 10.6893 11.4738 9.07858 12.0818 11.3346 numMergedOcc 0
19 mol 8 unq 1 iso 3 dist 9.66439 5.3787 6.24978 11.4738 9.07858 12.0818 13.8882 8.94096 10.6893 11.3346 numMergedOcc 0
20 mol 8 unq 2 iso 0 dist 6.24978 9.22548 7.3915 10.6893 8.94096 12.8924 12.0818 9.07858 4.85329 11.3346 numMergedOcc 0
21 mol 8 unq 2 iso 1 dist 6.24978 9.22548 7.3915 12.0818 9.07858 4.85329 10.6893 8.94096 12.8924 11.3346 numMergedOcc 0
22 mol 8 unq 2 iso 2 dist 7.3915 9.22548 6.24978 12.8924 8.94096 10.6893 4.85329 9.07858 12.0818 11.3346 numMergedOcc 0
23 mol 8 unq 2 iso 3 dist 7.3915 9.22548 6.24978 4.85329 9.07858 12.0818 12.8924 8.94096 10.6893 11.3346 numMergedOcc 0
24 mol 8 unq 2 iso 0 dist 9.66439 7.96511 7.3915 13.8882 8.94096 12.8924 11.4738 9.07858 4.85329 11.3346 numMergedOcc 0
25 mol 8 unq 2 iso 1 dist 9.66439 7.96511 7.3915 11.4738 9.07858 4.85329 13.8882 8.94096 12.8924 11.3346 numMergedOcc 0
26 mol 8 unq 2 iso 2 dist 7.3915 7.96511 9.66439 12.8924 8.94096 13.8882 4.85329 9.07858 11.4738 11.3346 numMergedOcc 0
27 mol 8 unq 2 iso 3 dist 7.3915 7.96511 9.66439 4.85329 9.07858 11.4738 12.8924 8.94096 13.8882 11.3346 numMergedOcc 0
28 mol 13 unq 0 iso 0 dist 5.78148 5.94592 6.26071 13.1699 8.00865 10.5634 11.1987 9.11447 12.0488 9.40499 numMergedOcc 0
29 mol 13 unq 0 iso 1 dist 5.78148 5.94592 6.26071 11.1987 9.11447 12.0488 13.1699 8.00865 10.5634 9.40499 numMergedOcc 0
30 mol 13 unq 0 iso 2 dist 6.26071 5.94592 5.78148 10.5634 8.00865 13.1699 12.0488 9.11447 11.1987 9.40499 numMergedOcc 0
31 mol 13 unq 0 iso 3 dist 6.26071 5.94592 5.78148 12.0488 9.11447 11.1987 10.5634 8.00865 13.1699 9.40499 numMergedOcc 0
32 mol 13 unq 1 iso 0 dist 5.78148 10.8906 8.43325 13.1699 8.00865 8.66829 11.1987 9.11447 14.2112 9.40499 numMergedOcc 0
33 mol 13 unq 1 iso 1 dist 5.78148 10.8906 8.43325 11.1987 9.11447 14.2112 13.1699 8.00865 8.66829 9.40499 numMergedOcc 0
34 mol 13 unq 1 iso 2 dist 8.43325 10.8906 5.78148 8.66829 8.00865 13.1699 14.2112 9.11447 11.1987 9.40499 numMergedOcc 0
35 mol 13 unq 1 iso 3 dist 8.43325 10.8906 5.78148 14.2112 9.11447 11.1987 8.66829 8.00865 13.1699 9.40499 numMergedOcc 0
36 mol 13 unq 1 iso 0 dist 6.26071 5.43688 8.43325 10.5634 8.00865 8.66829 12.0488 9.11447 14.2112 9.40499 numMergedOcc 0
37 mol 13 unq 1 iso 1 dist 6.26071 5.43688 8.43325 12.0488 9.11447 14.2112 10.5634 8.00865 8.66829 9.40499 numMergedOcc 0
38 mol 13 unq 1 iso 2 dist 8.43325 5.43688 6.26071 8.66829 8.00865 10.5634 14.2112 9.11447 12.0488 9.40499 numMergedOcc 0
39 mol 13 unq 1 iso 3 dist 8.43325 5.43688 6.26071 14.2112 9.11447 12.0488 8.66829 8.00865 10.5634 9.40499 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 6.35763 9.87025 10.0197 7.36192 5.85818 10.6679 8.58342 numMergedOcc 0
41 mol 119 unq 0 iso 1 dist 7.99857 4.85907 8.56342 7.36192 5.85818 10.6679 6.35763 9.87025 10.0197 8.58342 numMergedOcc 0
42 mol 119 unq 0 iso 2 dist 8.56342 4.85907 7.99857 10.0197 9.87025 6.35763 10.6679 5.85818 7.36192 8.58342 numMergedOcc 0
43 mol 119 unq 0 iso 3 dist 8.56342 4.85907 7.99857 10.6679 5.85818 7.36192 10.0197 9.87025 6.35763 8.58342 numMergedOcc 0
44 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 5.08802 5.1101 8.59354 10.1972 7.01133 8.54341 6.46698 numMergedOcc 0
45 mol 147 unq 0 iso 1 dist 5.49226 7.15222 6.28351 10.1972 7.01133 8.54341 5.08802 5.1101 8.59354 6.46698 numMergedOcc 0
46 mol 147 unq 0 iso 2 dist 6.28351 7.15222 5.49226 8.59354 5.1101 5.08802 8.54341 7.01133 10.1972 6.46698 numMergedOcc 0
47 mol 147 unq 0 iso 3 dist 6.28351 7.15222 5.49226 8.54341 7.01133 10.1972 8.59354 5.1101 5.08802 6.46698 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 9.31851 7.14831 6.2319 10.5873 9.54367 13.2847 4.73711 7.26859 5.97294 8.88109 numMergedOcc 0
49 mol 156 unq 0 iso 1 dist 9.31851 7.14831 6.2319 4.73711 7.26859 5.97294 10.5873 9.54367 13.2847 8.88109 numMergedOcc 0
50 mol 156 unq 0 iso 2 dist 6.2319 7.14831 9.31851 13.2847 9.54367 10.5873 5.97294 7.26859 4.73711 8.88109 numMergedOcc 0
51 mol 156 unq 0 iso 3 dist 6.2319 7.14831 9.31851 5.97294 7.26859 4.73711 13.2847 9.54367 10.5873 8.88109 numMergedOcc 0
52 mol 156 unq 1 iso 0 dist 9.31851 9.98789 9.97732 10.5873 9.54367 14.42 4.73711 7.26859 6.53729 8.88109 numMergedOcc 0
53 mol 156 unq 1 iso 1 dist 9.31851 9.98789 9.97732 4.73711 7.26859 6.53729 10.5873 9.54367 14.42 8.88109 numMergedOcc 0
54 mol 156 unq 1 iso 2 dist 9.97732 9.98789 9.31851 14.42 9.54367 10.5873 6.53729 7.26859 4.73711 8.88109 numMergedOcc 0
55 mol 156 unq 1 iso 3 dist 9.97732 9.98789 9.31851 6.53729 7.26859 4.73711 14.42 9.54367 10.5873 8.88109 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 6.2319 6.31306 9.97732 13.2847 9.54367 14.42 5.97294 7.26859 6.53729 8.88109 numMergedOcc 0
57 mol 156 unq 1 iso 1 dist 6.2319 6.31306 9.97732 5.97294 7.26859 6.53729 13.2847 9.54367 14.42 8.88109 numMergedOcc 0
58 mol 156 unq 1 iso 2 dist 9.97732 6.31306 6.2319 14.42 9.54367 13.2847 6.53729 7.26859 5.97294 8.88109 numMergedOcc 0
59 mol 156 unq 1 iso 3 dist 9.97732 6.31306 6.2319 6.53729 7.26859 5.97294 14.42 9.54367 13.2847 8.88109 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 6.51749 10.1912 7.20392 5.4601 7.345 6.14208 10.0524 9.52987 5.95965 6.33699 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 6.51749 10.1912 7.20392 10.0524 9.52987 5.95965 5.4601 7.345 6.14208 6.33699 numMergedOcc 0
62 mol 181 unq 0 iso 2 dist 7.20392 10.1912 6.51749 6.14208 7.345 5.4601 5.95965 9.52987 10.0524 6.33699 numMergedOcc 0
63 mol 181 unq 0 iso 3 dist 7.20392 10.1912 6.51749 5.95965 9.52987 10.0524 6.14208 7.345 5.4601 6.33699 numMergedOcc 0
64 mol 198 unq 0 iso 0 dist 9.18635 11.6493 8.10985 5.72073 8.15936 12.2117 9.94078 8.16598 10.8191 5.17341 numMergedOcc 0
65 mol 198 unq 0 iso 1 dist 9.18635 11.6493 8.10985 9.94078 8.16598 10.8191 5.72073 8.15936 12.2117 5.17341 numMergedOcc 0
66 mol 198 unq 0 iso 2 dist 8.10985 11.6493 9.18635 12.2117 8.15936 5.72073 10.8191 8.16598 9.94078 5.17341 numMergedOcc 0
67 mol 198 unq 0 iso 3 dist 8.10985 11.6493 9.18635 10.8191 8.16598 9.94078 12.2117 8.15936 5.72073 5.17341 numMergedOcc 0
68 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 6.05563 6.86795 9.68444 8.36122 6.61099 7.47048 9.17818 numMergedOcc 0
69 mol 218 unq 0 iso 1 dist 6.29367 4.72474 5.76954 8.36122 6.61099 7.47048 6.05563 6.86795 9.68444 9.17818 numMergedOcc 0
70 mol 218 unq 0 iso 2 dist 5.76954 4.72474 6.29367 9.68444 6.86795 6.05563 7.47048 6.61099 8.36122 9.17818 numMergedOcc 0
71 mol 218 unq 0 iso 3 dist 5.76954 4.72474 6.29367 7.47048 6.61099 8.36122 9.68444 6.86795 6.05563 9.17818 numMergedOcc 0
72 mol 218 unq 1 iso 0 dist 6.29367 6.17651 9.20961 6.05563 6.86795 11.4148 8.36122 6.61099 12.7963 9.17818 numMergedOcc 0
73 mol 218 unq 1 iso 1 dist 6.29367 6.17651 9.20961 8.36122 6.61099 12.7963 6.05563 6.86795 11.4148 9.17818 numMergedOcc 0
74 mol 218 unq 1 iso 2 dist 9.20961 6.17651 6.29367 11.4148 6.86795 6.05563 12.7963 6.61099 8.36122 9.17818 numMergedOcc 0
75 mol 218 unq 1 iso 3 dist 9.20961 6.17651 6.29367 12.7963 6.61099 8.36122 11.4148 6.86795 6.05563 9.17818 numMergedOcc 0
76 mol 218 unq 1 iso 0 dist 5.76954 5.61978 9.20961 9.68444 6.86795 11.4148 7.47048 6.61099 12.7963 9.17818 numMergedOcc 0
77 mol 218 unq 1 iso 1 dist 5.76954 5.61978 9.20961 7.47048 6.61099 12.7963 9.68444 6.86795 11.4148 9.17818 numMergedOcc 0
78 mol 218 unq 1 iso 2 dist 9.20961 5.61978 5.76954 11.4148 6.86795 9.68444 12.7963 6.61099 7.47048 9.17818 numMergedOcc 0
79 mol 218 unq 1 iso 3 dist 9.20961 5.61978 5.76954 12.7963 6.61099 7.47048 11.4148 6.86795 9.68444 9.17818 numMergedOcc 0
80 mol 227 unq 0 iso 0 dist 8.38865 5.22356 5.4694 9.60993 9.20589 5.34702 13.3557 7.89801 8.8709 9.97427 numMergedOcc 0
81 mol 227 unq 0 iso 1 dist 8.38865 5.22356 5.4694 13.3557 7.89801 8.8709 9.60993 9.20589 5.34702 9.97427 numMergedOcc 0
82 mol 227 unq 0 iso 2 dist 5.4694 5.22356 8.38865 5.34702 9.20589 9.60993 8.8709 7.89801 13.3557 9.97427 numMergedOcc 0
83 mol 227 unq 0 iso 3 dist 5.4694 5.22356 8.38865 8.8709 7.89801 13.3557 5.34702 9.20589 9.60993 9.97427 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 5.64181 6.85126 7.61393 10.4664 8.6597 13.3539 11.2717 7.47235 14.7509 6.44245 numMergedOcc 0
85 mol 238 unq 0 iso 1 dist 5.64181 6.85126 7.61393 11.2717 7.47235 14.7509 10.4664 8.6597 13.3539 6.44245 numMergedOcc 0
86 mol 238 unq 0 iso 2 dist 7.61393 6.85126 5.64181 13.3539 8.6597 10.4664 14.7509 7.47235 11.2717 6.44245 numMergedOcc 0
87 mol 238 unq 0 iso 3 dist 7.61393 6.85126 5.64181 14.7509 7.47235 11.2717 13.3539 8.6597 10.4664 6.44245 numMergedOcc 0
88 mol 238 unq 1 iso 0 dist 5.64181 6.85126 7.61393 10.4664 8.6597 13.3539 5.17471 6.44735 10.7999 12.1411 numMergedOcc 0
89 mol 238 unq 1 iso 1 dist 5.64181 6.85126 7.61393 5.17471 6.44735 10.7999 10.4664 8.6597 13.3539 12.1411 numMergedOcc 0
90 mol 238 unq 1 iso 2 dist 7.61393 6.85126 5.64181 13.3539 8.6597 10.4664 10.7999 6.44735 5.17471 12.1411 numMergedOcc 0
91 mol 238 unq 1 iso 3 dist 7.61393 6.85126 5.64181 10.7999 6.44735 5.17471 13.3539 8.6597 10.4664 12.1411 numMergedOcc 0
92 mol 238 unq 2 iso 0 dist 5.64181 6.85126 7.61393 10.4664 8.6597 13.3539 5.03393 5.91208 5.49433 13.7867 numMergedOcc 0
93 mol 238 unq 2 iso 1 dist 5.64181 6.85126 7.61393 5.03393 5.91208 5.49433 10.4664 8.6597 13.3539 13.7867 numMergedOcc 0
94 mol 238 unq 2 iso 2 dist 7.61393 6.85126 5.64181 13.3539 8.6597 10.4664 5.49433 5.91208 5.03393 13.7867 numMergedOcc 0
95 mol 238 unq 2 iso 3 dist 7.61393 6.85126 5.64181 5.49433 5.91208 5.03393 13.3539 8.6597 10.4664 13.7867 numMergedOcc 0
96 mol 238 unq 1 iso 0 dist 5.64181 6.85126 7.61393 11.2717 7.47235 14.7509 5.17471 6.44735 10.7999 10.1756 numMergedOcc 0
97 mol 238 unq 1 iso 1 dist 5.64181 6.85126 7.61393 5.17471 6.44735 10.7999 11.2717 7.47235 14.7509 10.1756 numMergedOcc 0
98 mol 238 unq 1 iso 2 dist 7.61393 6.85126 5.64181 14.7509 7.47235 11.2717 10.7999 6.44735 5.17471 10.1756 numMergedOcc 0
99 mol 238 unq 1 iso 3 dist 7.61393 6.85126 5.64181 10.7999 6.44735 5.17471 14.7509 7.47235 11.2717 10.1756 numMergedOcc 0
100 mol 238 unq 2 iso 0 dist 5.64181 6.85126 7.61393 11.2717 7.47235 14.7509 5.03393 5.91208 5.49433 13.0634 numMergedOcc 0
101 mol 238 unq 2 iso 1 dist 5.64181 6.85126 7.61393 5.03393 5.91208 5.49433 11.2717 7.47235 14.7509 13.0634 numMergedOcc 0
102 mol 238 unq 2 iso 2 dist 7.61393 6.85126 5.64181 14.7509 7.47235 11.2717 5.49433 5.91208 5.03393 13.0634 numMergedOcc 0
103 mol 238 unq 2 iso 3 dist 7.61393 6.85126 5.64181 5.49433 5.91208 5.03393 14.7509 7.47235 11.2717 13.0634 numMergedOcc 0
104 mol 238 unq 2 iso 0 dist 5.64181 6.85126 7.61393 5.17471 6.44735 10.7999 5.03393 5.91208 5.49433 6.34909 numMergedOcc 0
105 mol 238 unq 2 iso 1 dist 5.64181 6.85126 7.61393 5.03393 5.91208 5.49433 5.17471 6.44735 10.7999 6.34909 numMergedOcc 0
106 mol 238 unq 2 iso 2 dist 7.61393 6.85126 5.64181 10.7999 6.44735 5.17471 5.49433 5.91208 5.03393 6.34909 numMergedOcc 0
107 mol 238 unq 2 iso 3 dist 7.61393 6.85126 5.64181 5.49433 5.91208 5.03393 10.7999 6.44735 5.17471 6.34909 numMergedOcc 0
108 mol 240 unq 0 iso 0 dist 9.47583 4.28414 8.44909 10.7371 8.33853 7.75407 13.9225 5.66537 12.076 7.50503 numMergedOcc 0
109 mol 240 unq 0 iso 1 dist 9.47583 4.28414 8.44909 13.9225 5.66537 12.076 10.7371 8.33853 7.75407 7.50503 numMergedOcc 0
110 mol 240 unq 0 iso 2 dist 8.44909 4.28414 9.47583 7.75407 8.33853 10.7371 12.076 5.66537 13.9225 7.50503 numMergedOcc 0
111 mol 240 unq 0 iso 3 dist 8.44909 4.28414 9.47583 12.076 5.66537 13.9225 7.75407 8.33853 10.7371 7.50503 numMergedOcc 0
112 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 4.23801 5.2361 9.12442 13.6996 5.57515 7.35945 9.93756 numMergedOcc 0
113 mol 252 unq 0 iso 1 dist 8.47784 13.2361 8.66469 13.6996 5.57515 7.35945 4.23801 5.2361 9.12442 9.93756 numMergedOcc 0
114 mol 252 unq 0 iso 2 dist 8.66469 13.2361 8.47784 9.12442 5.2361 4.23801 7.35945 5.57515 13.6996 9.93756 numMergedOcc 0
115 mol 252 unq 0 iso 3 dist 8.66469 13.2361 8.47784 7.35945 5.57515 13.6996 9.12442 5.2361 4.23801 9.93756 numMergedOcc 0
116 mol 252 unq 1 iso 0 dist 8.47784 13.2361 8.66469 4.23801 5.2361 9.12442 15.4395 8.28694 5.26003 11.2543 numMergedOcc 0
117 mol 252 unq 1 iso 1 dist 8.47784 13.2361 8.66469 15.4395 8.28694 5.26003 4.23801 5.2361 9.12442 11.2543 numMergedOcc 0
118 mol 252 unq 1 iso 2 dist 8.66469 13.2361 8.47784 9.12442 5.2361 4.23801 5.26003 8.28694 15.4395 11.2543 numMergedOcc 0
119 mol 252 unq 1 iso 3 dist 8.66469 13.2361 8.47784 5.26003 8.28694 15.4395 9.12442 5.2361 4.23801 11.2543 numMergedOcc 0
120 mol 252 unq 1 iso 0 dist 8.47784 13.2361 8.66469 13.6996 5.57515 7.35945 15.4395 8.28694 5.26003 4.79679 numMergedOcc 0
121 mol 252 unq 1 iso 1 dist 8.47784 13.2361 8.66469 15.4395 8.28694 5.26003 13.6996 5.57515 7.35945 4.79679 numMergedOcc 0
122 mol 252 unq 1 iso 2 dist 8.66469 13.2361 8.47784 7.35945 5.57515 13.6996 5.26003 8.28694 15.4395 4.79679 numMergedOcc 0
123 mol 252 unq 1 iso 3 dist 8.66469 13.2361 8.47784 5.26003 8.28694 15.4395 7.35945 5.57515 13.6996 4.79679 numMergedOcc 0
