0 mol 5 unq 0 iso 0 dist 6.14476 4.70478 8.34817 13.9409 9.70883 13.2371 4.97032 9.65565 3.24598 16.0393 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 6.14476 4.70478 8.34817 4.97032 9.65565 3.24598 13.9409 9.70883 13.2371 16.0393 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.45756 12.3186 5.4713 9.26597 3.77542 6.08836 4.60014 9.97314 14.1986 9.4824 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 9.45756 12.3186 5.4713 4.60014 9.97314 14.1986 9.26597 3.77542 6.08836 9.4824 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.61521 4.09069 9.57759 10.5019 7.66068 9.50354 13.3187 9.5043 12.0331 6.98219 numMergedOcc 0
5 mol 76 unq 0 iso 1 dist 7.61521 4.09069 9.57759 13.3187 9.5043 12.0331 10.5019 7.66068 9.50354 6.98219 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.61521 4.09069 9.57759 10.5019 7.66068 9.50354 10.3032 8.34132 9.2434 8.74837 numMergedOcc 0
7 mol 76 unq 1 iso 1 dist 7.61521 4.09069 9.57759 10.3032 8.34132 9.2434 10.5019 7.66068 9.50354 8.74837 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.61521 4.09069 9.57759 13.3187 9.5043 12.0331 10.3032 8.34132 9.2434 4.82479 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 7.61521 4.09069 9.57759 10.3032 8.34132 9.2434 13.3187 9.5043 12.0331 4.82479 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.69926 6.92455 4.29937 6.35602 6.67137 3.65186 13.5979 9.78707 12.2971 15.509 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 7.69926 6.92455 4.29937 13.5979 9.78707 12.2971 6.35602 6.67137 3.65186 15.509 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.69926 7.01366 3.65628 6.35602 6.67137 7.00044 13.5979 9.78707 8.64367 15.509 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 7.69926 7.01366 3.65628 13.5979 9.78707 8.64367 6.35602 6.67137 7.00044 15.509 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.69926 14.8822 9.77774 6.35602 6.67137 16.1804 13.5979 9.78707 3.21259 15.509 numMergedOcc 0
15 mol 85 unq 2 iso 1 dist 7.69926 14.8822 9.77774 13.5979 9.78707 3.21259 6.35602 6.67137 16.1804 15.509 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 5.85237 6.92455 5.37869 3.88489 7.07839 10.0372 7.33192 9.09711 11.8779 7.6242 numMergedOcc 0
17 mol 85 unq 3 iso 1 dist 5.85237 6.92455 5.37869 7.33192 9.09711 11.8779 3.88489 7.07839 10.0372 7.6242 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 5.85237 6.92455 5.37869 3.88489 7.07839 10.0372 6.35602 7.04244 3.65186 10.1082 numMergedOcc 0
19 mol 85 unq 4 iso 1 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 3.88489 7.07839 10.0372 10.1082 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 5.85237 6.92455 5.37869 3.88489 7.07839 10.0372 5.78841 7.91193 11.7094 3.24037 numMergedOcc 0
21 mol 85 unq 5 iso 1 dist 5.85237 6.92455 5.37869 5.78841 7.91193 11.7094 3.88489 7.07839 10.0372 3.24037 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 3.88489 7.07839 10.0372 13.5979 9.63449 12.2971 12.8332 numMergedOcc 0
23 mol 85 unq 6 iso 1 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 3.88489 7.07839 10.0372 12.8332 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 5.85237 6.92455 5.37869 7.33192 9.09711 11.8779 6.35602 7.04244 3.65186 10.1757 numMergedOcc 0
25 mol 85 unq 4 iso 1 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 7.33192 9.09711 11.8779 10.1757 numMergedOcc 0
26 mol 85 unq 5 iso 0 dist 5.85237 6.92455 5.37869 7.33192 9.09711 11.8779 5.78841 7.91193 11.7094 5.44737 numMergedOcc 0
27 mol 85 unq 5 iso 1 dist 5.85237 6.92455 5.37869 5.78841 7.91193 11.7094 7.33192 9.09711 11.8779 5.44737 numMergedOcc 0
28 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 7.33192 9.09711 11.8779 13.5979 9.63449 12.2971 17.7038 numMergedOcc 0
29 mol 85 unq 6 iso 1 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 7.33192 9.09711 11.8779 17.7038 numMergedOcc 0
30 mol 85 unq 5 iso 0 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 5.78841 7.91193 11.7094 11.3346 numMergedOcc 0
31 mol 85 unq 5 iso 1 dist 5.85237 6.92455 5.37869 5.78841 7.91193 11.7094 6.35602 7.04244 3.65186 11.3346 numMergedOcc 0
32 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 13.5979 9.63449 12.2971 15.509 numMergedOcc 0
33 mol 85 unq 6 iso 1 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 6.35602 7.04244 3.65186 15.509 numMergedOcc 0
34 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 5.78841 7.91193 11.7094 13.5979 9.63449 12.2971 14.2704 numMergedOcc 0
35 mol 85 unq 6 iso 1 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 5.78841 7.91193 11.7094 14.2704 numMergedOcc 0
36 mol 85 unq 7 iso 0 dist 5.85237 7.01366 4.05415 3.88489 7.07839 8.78995 7.33192 9.09711 12.4835 7.6242 numMergedOcc 0
37 mol 85 unq 7 iso 1 dist 5.85237 7.01366 4.05415 7.33192 9.09711 12.4835 3.88489 7.07839 8.78995 7.6242 numMergedOcc 0
38 mol 85 unq 8 iso 0 dist 5.85237 7.01366 4.05415 3.88489 7.07839 8.78995 6.35602 7.04244 7.00044 10.1082 numMergedOcc 0
39 mol 85 unq 8 iso 1 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 3.88489 7.07839 8.78995 10.1082 numMergedOcc 0
40 mol 85 unq 9 iso 0 dist 5.85237 7.01366 4.05415 3.88489 7.07839 8.78995 5.78841 7.91193 10.7591 3.24037 numMergedOcc 0
41 mol 85 unq 9 iso 1 dist 5.85237 7.01366 4.05415 5.78841 7.91193 10.7591 3.88489 7.07839 8.78995 3.24037 numMergedOcc 0
42 mol 85 unq 10 iso 0 dist 5.85237 7.01366 4.05415 3.88489 7.07839 8.78995 13.5979 9.63449 8.64367 12.8332 numMergedOcc 0
43 mol 85 unq 10 iso 1 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 3.88489 7.07839 8.78995 12.8332 numMergedOcc 0
44 mol 85 unq 8 iso 0 dist 5.85237 7.01366 4.05415 7.33192 9.09711 12.4835 6.35602 7.04244 7.00044 10.1757 numMergedOcc 0
45 mol 85 unq 8 iso 1 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 7.33192 9.09711 12.4835 10.1757 numMergedOcc 0
46 mol 85 unq 9 iso 0 dist 5.85237 7.01366 4.05415 7.33192 9.09711 12.4835 5.78841 7.91193 10.7591 5.44737 numMergedOcc 0
47 mol 85 unq 9 iso 1 dist 5.85237 7.01366 4.05415 5.78841 7.91193 10.7591 7.33192 9.09711 12.4835 5.44737 numMergedOcc 0
48 mol 85 unq 10 iso 0 dist 5.85237 7.01366 4.05415 7.33192 9.09711 12.4835 13.5979 9.63449 8.64367 17.7038 numMergedOcc 0
49 mol 85 unq 10 iso 1 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 7.33192 9.09711 12.4835 17.7038 numMergedOcc 0
50 mol 85 unq 9 iso 0 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 5.78841 7.91193 10.7591 11.3346 numMergedOcc 0
51 mol 85 unq 9 iso 1 dist 5.85237 7.01366 4.05415 5.78841 7.91193 10.7591 6.35602 7.04244 7.00044 11.3346 numMergedOcc 0
52 mol 85 unq 10 iso 0 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 13.5979 9.63449 8.64367 15.509 numMergedOcc 0
53 mol 85 unq 10 iso 1 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 6.35602 7.04244 7.00044 15.509 numMergedOcc 0
54 mol 85 unq 10 iso 0 dist 5.85237 7.01366 4.05415 5.78841 7.91193 10.7591 13.5979 9.63449 8.64367 14.2704 numMergedOcc 0
55 mol 85 unq 10 iso 1 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 5.78841 7.91193 10.7591 14.2704 numMergedOcc 0
56 mol 85 unq 11 iso 0 dist 5.85237 14.8822 9.97944 3.88489 7.07839 14.2664 7.33192 9.09711 17.9023 7.6242 numMergedOcc 0
57 mol 85 unq 11 iso 1 dist 5.85237 14.8822 9.97944 7.33192 9.09711 17.9023 3.88489 7.07839 14.2664 7.6242 numMergedOcc 0
58 mol 85 unq 12 iso 0 dist 5.85237 14.8822 9.97944 3.88489 7.07839 14.2664 6.35602 7.04244 16.1804 10.1082 numMergedOcc 0
59 mol 85 unq 12 iso 1 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 3.88489 7.07839 14.2664 10.1082 numMergedOcc 0
60 mol 85 unq 13 iso 0 dist 5.85237 14.8822 9.97944 3.88489 7.07839 14.2664 5.78841 7.91193 15.1209 3.24037 numMergedOcc 0
61 mol 85 unq 13 iso 1 dist 5.85237 14.8822 9.97944 5.78841 7.91193 15.1209 3.88489 7.07839 14.2664 3.24037 numMergedOcc 0
62 mol 85 unq 14 iso 0 dist 5.85237 14.8822 9.97944 3.88489 7.07839 14.2664 13.5979 9.63449 3.21259 12.8332 numMergedOcc 0
63 mol 85 unq 14 iso 1 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 3.88489 7.07839 14.2664 12.8332 numMergedOcc 0
64 mol 85 unq 12 iso 0 dist 5.85237 14.8822 9.97944 7.33192 9.09711 17.9023 6.35602 7.04244 16.1804 10.1757 numMergedOcc 0
65 mol 85 unq 12 iso 1 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 7.33192 9.09711 17.9023 10.1757 numMergedOcc 0
66 mol 85 unq 13 iso 0 dist 5.85237 14.8822 9.97944 7.33192 9.09711 17.9023 5.78841 7.91193 15.1209 5.44737 numMergedOcc 0
67 mol 85 unq 13 iso 1 dist 5.85237 14.8822 9.97944 5.78841 7.91193 15.1209 7.33192 9.09711 17.9023 5.44737 numMergedOcc 0
68 mol 85 unq 14 iso 0 dist 5.85237 14.8822 9.97944 7.33192 9.09711 17.9023 13.5979 9.63449 3.21259 17.7038 numMergedOcc 0
69 mol 85 unq 14 iso 1 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 7.33192 9.09711 17.9023 17.7038 numMergedOcc 0
70 mol 85 unq 13 iso 0 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 5.78841 7.91193 15.1209 11.3346 numMergedOcc 0
71 mol 85 unq 13 iso 1 dist 5.85237 14.8822 9.97944 5.78841 7.91193 15.1209 6.35602 7.04244 16.1804 11.3346 numMergedOcc 0
72 mol 85 unq 14 iso 0 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 13.5979 9.63449 3.21259 15.509 numMergedOcc 0
73 mol 85 unq 14 iso 1 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 6.35602 7.04244 16.1804 15.509 numMergedOcc 0
74 mol 85 unq 14 iso 0 dist 5.85237 14.8822 9.97944 5.78841 7.91193 15.1209 13.5979 9.63449 3.21259 14.2704 numMergedOcc 0
75 mol 85 unq 14 iso 1 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 5.78841 7.91193 15.1209 14.2704 numMergedOcc 0
76 mol 85 unq 15 iso 0 dist 9.11768 8.32224 5.37869 9.22202 7.07839 10.0372 10.5854 7.04244 3.65186 10.1082 numMergedOcc 0
77 mol 85 unq 15 iso 1 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 9.22202 7.07839 10.0372 10.1082 numMergedOcc 0
78 mol 85 unq 16 iso 0 dist 9.11768 8.32224 5.37869 9.22202 7.07839 10.0372 12.2858 7.91193 11.7094 3.24037 numMergedOcc 0
79 mol 85 unq 16 iso 1 dist 9.11768 8.32224 5.37869 12.2858 7.91193 11.7094 9.22202 7.07839 10.0372 3.24037 numMergedOcc 0
80 mol 85 unq 17 iso 0 dist 9.11768 8.32224 5.37869 9.22202 7.07839 10.0372 10.0606 9.63449 12.2971 12.8332 numMergedOcc 0
81 mol 85 unq 17 iso 1 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 9.22202 7.07839 10.0372 12.8332 numMergedOcc 0
82 mol 85 unq 18 iso 0 dist 9.11768 8.32224 5.37869 9.22202 7.07839 10.0372 15.5226 9.09711 11.8779 7.6242 numMergedOcc 0
83 mol 85 unq 18 iso 1 dist 9.11768 8.32224 5.37869 15.5226 9.09711 11.8779 9.22202 7.07839 10.0372 7.6242 numMergedOcc 0
84 mol 85 unq 16 iso 0 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 12.2858 7.91193 11.7094 11.3346 numMergedOcc 0
85 mol 85 unq 16 iso 1 dist 9.11768 8.32224 5.37869 12.2858 7.91193 11.7094 10.5854 7.04244 3.65186 11.3346 numMergedOcc 0
86 mol 85 unq 17 iso 0 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 10.0606 9.63449 12.2971 15.509 numMergedOcc 0
87 mol 85 unq 17 iso 1 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 10.5854 7.04244 3.65186 15.509 numMergedOcc 0
88 mol 85 unq 18 iso 0 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 15.5226 9.09711 11.8779 10.1757 numMergedOcc 0
89 mol 85 unq 18 iso 1 dist 9.11768 8.32224 5.37869 15.5226 9.09711 11.8779 10.5854 7.04244 3.65186 10.1757 numMergedOcc 0
90 mol 85 unq 17 iso 0 dist 9.11768 8.32224 5.37869 12.2858 7.91193 11.7094 10.0606 9.63449 12.2971 14.2704 numMergedOcc 0
91 mol 85 unq 17 iso 1 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 12.2858 7.91193 11.7094 14.2704 numMergedOcc 0
92 mol 85 unq 18 iso 0 dist 9.11768 8.32224 5.37869 12.2858 7.91193 11.7094 15.5226 9.09711 11.8779 5.44737 numMergedOcc 0
93 mol 85 unq 18 iso 1 dist 9.11768 8.32224 5.37869 15.5226 9.09711 11.8779 12.2858 7.91193 11.7094 5.44737 numMergedOcc 0
94 mol 85 unq 18 iso 0 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 15.5226 9.09711 11.8779 17.7038 numMergedOcc 0
95 mol 85 unq 18 iso 1 dist 9.11768 8.32224 5.37869 15.5226 9.09711 11.8779 10.0606 9.63449 12.2971 17.7038 numMergedOcc 0
96 mol 85 unq 19 iso 0 dist 9.11768 6.15019 4.05415 9.22202 7.07839 8.78995 10.5854 7.04244 7.00044 10.1082 numMergedOcc 0
97 mol 85 unq 19 iso 1 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 9.22202 7.07839 8.78995 10.1082 numMergedOcc 0
98 mol 85 unq 20 iso 0 dist 9.11768 6.15019 4.05415 9.22202 7.07839 8.78995 12.2858 7.91193 10.7591 3.24037 numMergedOcc 0
99 mol 85 unq 20 iso 1 dist 9.11768 6.15019 4.05415 12.2858 7.91193 10.7591 9.22202 7.07839 8.78995 3.24037 numMergedOcc 0
100 mol 85 unq 21 iso 0 dist 9.11768 6.15019 4.05415 9.22202 7.07839 8.78995 10.0606 9.63449 8.64367 12.8332 numMergedOcc 0
101 mol 85 unq 21 iso 1 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 9.22202 7.07839 8.78995 12.8332 numMergedOcc 0
102 mol 85 unq 22 iso 0 dist 9.11768 6.15019 4.05415 9.22202 7.07839 8.78995 15.5226 9.09711 12.4835 7.6242 numMergedOcc 0
103 mol 85 unq 22 iso 1 dist 9.11768 6.15019 4.05415 15.5226 9.09711 12.4835 9.22202 7.07839 8.78995 7.6242 numMergedOcc 0
104 mol 85 unq 20 iso 0 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 12.2858 7.91193 10.7591 11.3346 numMergedOcc 0
105 mol 85 unq 20 iso 1 dist 9.11768 6.15019 4.05415 12.2858 7.91193 10.7591 10.5854 7.04244 7.00044 11.3346 numMergedOcc 0
106 mol 85 unq 21 iso 0 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 10.0606 9.63449 8.64367 15.509 numMergedOcc 0
107 mol 85 unq 21 iso 1 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 10.5854 7.04244 7.00044 15.509 numMergedOcc 0
108 mol 85 unq 22 iso 0 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 15.5226 9.09711 12.4835 10.1757 numMergedOcc 0
109 mol 85 unq 22 iso 1 dist 9.11768 6.15019 4.05415 15.5226 9.09711 12.4835 10.5854 7.04244 7.00044 10.1757 numMergedOcc 0
110 mol 85 unq 21 iso 0 dist 9.11768 6.15019 4.05415 12.2858 7.91193 10.7591 10.0606 9.63449 8.64367 14.2704 numMergedOcc 0
111 mol 85 unq 21 iso 1 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 12.2858 7.91193 10.7591 14.2704 numMergedOcc 0
112 mol 85 unq 22 iso 0 dist 9.11768 6.15019 4.05415 12.2858 7.91193 10.7591 15.5226 9.09711 12.4835 5.44737 numMergedOcc 0
113 mol 85 unq 22 iso 1 dist 9.11768 6.15019 4.05415 15.5226 9.09711 12.4835 12.2858 7.91193 10.7591 5.44737 numMergedOcc 0
114 mol 85 unq 22 iso 0 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 15.5226 9.09711 12.4835 17.7038 numMergedOcc 0
115 mol 85 unq 22 iso 1 dist 9.11768 6.15019 4.05415 15.5226 9.09711 12.4835 10.0606 9.63449 8.64367 17.7038 numMergedOcc 0
116 mol 85 unq 23 iso 0 dist 9.11768 12.6518 9.97944 9.22202 7.07839 14.2664 10.5854 7.04244 16.1804 10.1082 numMergedOcc 0
117 mol 85 unq 23 iso 1 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 9.22202 7.07839 14.2664 10.1082 numMergedOcc 0
118 mol 85 unq 24 iso 0 dist 9.11768 12.6518 9.97944 9.22202 7.07839 14.2664 12.2858 7.91193 15.1209 3.24037 numMergedOcc 0
119 mol 85 unq 24 iso 1 dist 9.11768 12.6518 9.97944 12.2858 7.91193 15.1209 9.22202 7.07839 14.2664 3.24037 numMergedOcc 0
120 mol 85 unq 25 iso 0 dist 9.11768 12.6518 9.97944 9.22202 7.07839 14.2664 10.0606 9.63449 3.21259 12.8332 numMergedOcc 0
121 mol 85 unq 25 iso 1 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 9.22202 7.07839 14.2664 12.8332 numMergedOcc 0
122 mol 85 unq 26 iso 0 dist 9.11768 12.6518 9.97944 9.22202 7.07839 14.2664 15.5226 9.09711 17.9023 7.6242 numMergedOcc 0
123 mol 85 unq 26 iso 1 dist 9.11768 12.6518 9.97944 15.5226 9.09711 17.9023 9.22202 7.07839 14.2664 7.6242 numMergedOcc 0
124 mol 85 unq 24 iso 0 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 12.2858 7.91193 15.1209 11.3346 numMergedOcc 0
125 mol 85 unq 24 iso 1 dist 9.11768 12.6518 9.97944 12.2858 7.91193 15.1209 10.5854 7.04244 16.1804 11.3346 numMergedOcc 0
126 mol 85 unq 25 iso 0 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 10.0606 9.63449 3.21259 15.509 numMergedOcc 0
127 mol 85 unq 25 iso 1 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 10.5854 7.04244 16.1804 15.509 numMergedOcc 0
128 mol 85 unq 26 iso 0 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 15.5226 9.09711 17.9023 10.1757 numMergedOcc 0
129 mol 85 unq 26 iso 1 dist 9.11768 12.6518 9.97944 15.5226 9.09711 17.9023 10.5854 7.04244 16.1804 10.1757 numMergedOcc 0
130 mol 85 unq 25 iso 0 dist 9.11768 12.6518 9.97944 12.2858 7.91193 15.1209 10.0606 9.63449 3.21259 14.2704 numMergedOcc 0
131 mol 85 unq 25 iso 1 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 12.2858 7.91193 15.1209 14.2704 numMergedOcc 0
132 mol 85 unq 26 iso 0 dist 9.11768 12.6518 9.97944 12.2858 7.91193 15.1209 15.5226 9.09711 17.9023 5.44737 numMergedOcc 0
133 mol 85 unq 26 iso 1 dist 9.11768 12.6518 9.97944 15.5226 9.09711 17.9023 12.2858 7.91193 15.1209 5.44737 numMergedOcc 0
134 mol 85 unq 26 iso 0 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 15.5226 9.09711 17.9023 17.7038 numMergedOcc 0
135 mol 85 unq 26 iso 1 dist 9.11768 12.6518 9.97944 15.5226 9.09711 17.9023 10.0606 9.63449 3.21259 17.7038 numMergedOcc 0
136 mol 107 unq 0 iso 0 dist 9.45682 10.1994 5.31375 17.9917 8.88124 9.65216 11.8593 8.19484 8.32169 13.5807 numMergedOcc 0
137 mol 107 unq 0 iso 1 dist 9.45682 10.1994 5.31375 11.8593 8.19484 8.32169 17.9917 8.88124 9.65216 13.5807 numMergedOcc 0
138 mol 107 unq 1 iso 0 dist 9.45682 12.9752 6.49371 17.9917 8.88124 10.4294 11.8593 8.19484 3.40943 13.5807 numMergedOcc 0
139 mol 107 unq 1 iso 1 dist 9.45682 12.9752 6.49371 11.8593 8.19484 3.40943 17.9917 8.88124 10.4294 13.5807 numMergedOcc 0
140 mol 115 unq 0 iso 0 dist 6.19918 4.03602 9.45013 4.18693 6.21029 7.30495 7.41059 8.16325 9.57858 3.66281 numMergedOcc 0
141 mol 115 unq 0 iso 1 dist 6.19918 4.03602 9.45013 7.41059 8.16325 9.57858 4.18693 6.21029 7.30495 3.66281 numMergedOcc 0
142 mol 120 unq 0 iso 0 dist 8.38358 7.64591 9.98772 9.4846 9.31385 3.28697 3.824 6.98791 4.5296 5.7181 numMergedOcc 0
143 mol 120 unq 0 iso 1 dist 8.38358 7.64591 9.98772 3.824 6.98791 4.5296 9.4846 9.31385 3.28697 5.7181 numMergedOcc 0
144 mol 123 unq 0 iso 0 dist 8.111 4.1335 4.14492 12.2105 5.56127 8.42496 12.5368 8.03692 10.3919 10.2185 numMergedOcc 0
145 mol 123 unq 0 iso 1 dist 8.111 4.1335 4.14492 12.5368 8.03692 10.3919 12.2105 5.56127 8.42496 10.2185 numMergedOcc 0
146 mol 123 unq 1 iso 0 dist 8.111 4.1335 4.14492 12.2105 5.56127 8.42496 6.21159 5.36214 3.3389 8.29136 numMergedOcc 0
147 mol 123 unq 1 iso 1 dist 8.111 4.1335 4.14492 6.21159 5.36214 3.3389 12.2105 5.56127 8.42496 8.29136 numMergedOcc 0
148 mol 123 unq 1 iso 0 dist 8.111 4.1335 4.14492 12.5368 8.03692 10.3919 6.21159 5.36214 3.3389 13.0033 numMergedOcc 0
149 mol 123 unq 1 iso 1 dist 8.111 4.1335 4.14492 6.21159 5.36214 3.3389 12.5368 8.03692 10.3919 13.0033 numMergedOcc 0
150 mol 147 unq 0 iso 0 dist 8.39897 8.57851 7.7464 7.06219 3.82583 5.19008 4.19634 5.19116 5.27556 3.00464 numMergedOcc 0
151 mol 147 unq 0 iso 1 dist 8.39897 8.57851 7.7464 4.19634 5.19116 5.27556 7.06219 3.82583 5.19008 3.00464 numMergedOcc 0
152 mol 147 unq 1 iso 0 dist 8.39897 10.5361 5.12272 7.06219 3.82583 3.7729 4.19634 5.19116 6.34165 3.00464 numMergedOcc 0
153 mol 147 unq 1 iso 1 dist 8.39897 10.5361 5.12272 4.19634 5.19116 6.34165 7.06219 3.82583 3.7729 3.00464 numMergedOcc 0
154 mol 147 unq 2 iso 0 dist 9.03078 9.14906 7.7464 6.04074 3.82583 5.19008 6.24579 5.19116 5.27556 3.00464 numMergedOcc 0
155 mol 147 unq 2 iso 1 dist 9.03078 9.14906 7.7464 6.24579 5.19116 5.27556 6.04074 3.82583 5.19008 3.00464 numMergedOcc 0
156 mol 147 unq 3 iso 0 dist 9.03078 8.88819 5.12272 6.04074 3.82583 3.7729 6.24579 5.19116 6.34165 3.00464 numMergedOcc 0
157 mol 147 unq 3 iso 1 dist 9.03078 8.88819 5.12272 6.24579 5.19116 6.34165 6.04074 3.82583 3.7729 3.00464 numMergedOcc 0
158 mol 168 unq 0 iso 0 dist 7.48734 4.67135 7.0961 3.42733 5.86767 6.06538 8.91606 5.28353 10.919 6.37254 numMergedOcc 0
159 mol 168 unq 0 iso 1 dist 7.48734 4.67135 7.0961 8.91606 5.28353 10.919 3.42733 5.86767 6.06538 6.37254 numMergedOcc 0
160 mol 168 unq 1 iso 0 dist 7.48734 13.2594 8.21227 3.42733 5.86767 9.99868 8.91606 5.28353 6.91388 6.37254 numMergedOcc 0
161 mol 168 unq 1 iso 1 dist 7.48734 13.2594 8.21227 8.91606 5.28353 6.91388 3.42733 5.86767 9.99868 6.37254 numMergedOcc 0
162 mol 168 unq 2 iso 0 dist 7.48734 11.6594 6.53038 3.42733 5.86767 10.7133 8.91606 5.28353 6.65321 6.37254 numMergedOcc 0
163 mol 168 unq 2 iso 1 dist 7.48734 11.6594 6.53038 8.91606 5.28353 6.65321 3.42733 5.86767 10.7133 6.37254 numMergedOcc 0
164 mol 168 unq 3 iso 0 dist 5.6125 9.87321 7.0961 6.57536 5.86767 6.06538 4.07587 5.28353 10.919 6.37254 numMergedOcc 0
165 mol 168 unq 3 iso 1 dist 5.6125 9.87321 7.0961 4.07587 5.28353 10.919 6.57536 5.86767 6.06538 6.37254 numMergedOcc 0
166 mol 168 unq 4 iso 0 dist 5.6125 10.7557 8.21227 6.57536 5.86767 9.99868 4.07587 5.28353 6.91388 6.37254 numMergedOcc 0
167 mol 168 unq 4 iso 1 dist 5.6125 10.7557 8.21227 4.07587 5.28353 6.91388 6.57536 5.86767 9.99868 6.37254 numMergedOcc 0
168 mol 168 unq 5 iso 0 dist 5.6125 5.16335 6.53038 6.57536 5.86767 10.7133 4.07587 5.28353 6.65321 6.37254 numMergedOcc 0
169 mol 168 unq 5 iso 1 dist 5.6125 5.16335 6.53038 4.07587 5.28353 6.65321 6.57536 5.86767 10.7133 6.37254 numMergedOcc 0
170 mol 186 unq 0 iso 0 dist 5.90765 3.90244 8.92135 12.1883 7.25595 14.4913 6.89146 9.94825 5.43612 12.8007 numMergedOcc 0
171 mol 186 unq 0 iso 1 dist 5.90765 3.90244 8.92135 6.89146 9.94825 5.43612 12.1883 7.25595 14.4913 12.8007 numMergedOcc 0
172 mol 194 unq 0 iso 0 dist 9.38984 13.9836 5.89939 11.6641 4.68722 9.23342 7.3365 5.18325 10.3782 5.61057 numMergedOcc 0
173 mol 194 unq 0 iso 1 dist 9.38984 13.9836 5.89939 7.3365 5.18325 10.3782 11.6641 4.68722 9.23342 5.61057 numMergedOcc 0
174 mol 194 unq 1 iso 0 dist 9.38984 13.9116 8.18853 11.6641 4.68722 11.7699 7.3365 5.18325 13.0759 5.61057 numMergedOcc 0
175 mol 194 unq 1 iso 1 dist 9.38984 13.9116 8.18853 7.3365 5.18325 13.0759 11.6641 4.68722 11.7699 5.61057 numMergedOcc 0
176 mol 194 unq 2 iso 0 dist 9.91118 15.5573 5.89939 10.0534 4.68722 9.23342 6.3514 5.18325 10.3782 5.61057 numMergedOcc 0
177 mol 194 unq 2 iso 1 dist 9.91118 15.5573 5.89939 6.3514 5.18325 10.3782 10.0534 4.68722 9.23342 5.61057 numMergedOcc 0
178 mol 194 unq 3 iso 0 dist 9.91118 16.1172 8.18853 10.0534 4.68722 11.7699 6.3514 5.18325 13.0759 5.61057 numMergedOcc 0
179 mol 194 unq 3 iso 1 dist 9.91118 16.1172 8.18853 6.3514 5.18325 13.0759 10.0534 4.68722 11.7699 5.61057 numMergedOcc 0
