0 mol 8 unq 0 iso 0 dist 6.56356 10.9495 9.01112 8.09332 7.62333 6.23795 5.7531 8.83742 7.17012 6.31881 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.56356 8.09332 7.62333 10.9495 9.01112 6.23795 5.7531 8.83742 6.31881 7.17012 numMergedOcc 0
2 mol 8 unq 0 iso 2 dist 9.01112 10.9495 6.56356 6.23795 7.62333 8.09332 7.17012 8.83742 5.7531 6.31881 numMergedOcc 0
3 mol 8 unq 0 iso 3 dist 9.01112 6.23795 7.62333 10.9495 6.56356 8.09332 7.17012 8.83742 6.31881 5.7531 numMergedOcc 0
4 mol 8 unq 0 iso 4 dist 7.62333 8.09332 6.56356 6.23795 9.01112 10.9495 6.31881 8.83742 5.7531 7.17012 numMergedOcc 0
5 mol 8 unq 0 iso 5 dist 7.62333 6.23795 9.01112 8.09332 6.56356 10.9495 6.31881 8.83742 7.17012 5.7531 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.97769 5.23069 9.32706 7.5247 9.08221 10.0658 7.40296 6.87028 5.89202 6.37648 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 9.97769 7.5247 9.08221 5.23069 9.32706 10.0658 7.40296 6.87028 6.37648 5.89202 numMergedOcc 0
8 mol 58 unq 0 iso 2 dist 9.32706 5.23069 9.97769 10.0658 9.08221 7.5247 5.89202 6.87028 7.40296 6.37648 numMergedOcc 0
9 mol 58 unq 0 iso 3 dist 9.32706 10.0658 9.08221 5.23069 9.97769 7.5247 5.89202 6.87028 6.37648 7.40296 numMergedOcc 0
10 mol 58 unq 0 iso 4 dist 9.08221 7.5247 9.97769 10.0658 9.32706 5.23069 6.37648 6.87028 7.40296 5.89202 numMergedOcc 0
11 mol 58 unq 0 iso 5 dist 9.08221 10.0658 9.32706 7.5247 9.97769 5.23069 6.37648 6.87028 5.89202 7.40296 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 8.40422 5.52198 8.40425 9.1532 7.47974 4.8812 8.79802 6.65534 5.88324 6.52312 numMergedOcc 0
13 mol 89 unq 0 iso 1 dist 8.40422 9.1532 7.47974 5.52198 8.40425 4.8812 8.79802 6.65534 6.52312 5.88324 numMergedOcc 0
14 mol 89 unq 0 iso 2 dist 8.40425 5.52198 8.40422 4.8812 7.47974 9.1532 5.88324 6.65534 8.79802 6.52312 numMergedOcc 0
15 mol 89 unq 0 iso 3 dist 8.40425 4.8812 7.47974 5.52198 8.40422 9.1532 5.88324 6.65534 6.52312 8.79802 numMergedOcc 0
16 mol 89 unq 0 iso 4 dist 7.47974 9.1532 8.40422 4.8812 8.40425 5.52198 6.52312 6.65534 8.79802 5.88324 numMergedOcc 0
17 mol 89 unq 0 iso 5 dist 7.47974 4.8812 8.40425 9.1532 8.40422 5.52198 6.52312 6.65534 5.88324 8.79802 numMergedOcc 0
18 mol 89 unq 1 iso 0 dist 8.40422 5.52198 8.40425 6.50464 5.51831 8.46794 8.79802 6.65534 5.88324 6.60299 numMergedOcc 0
19 mol 89 unq 1 iso 1 dist 8.40422 6.50464 5.51831 5.52198 8.40425 8.46794 8.79802 6.65534 6.60299 5.88324 numMergedOcc 0
20 mol 89 unq 1 iso 2 dist 8.40425 5.52198 8.40422 8.46794 5.51831 6.50464 5.88324 6.65534 8.79802 6.60299 numMergedOcc 0
21 mol 89 unq 1 iso 3 dist 8.40425 8.46794 5.51831 5.52198 8.40422 6.50464 5.88324 6.65534 6.60299 8.79802 numMergedOcc 0
22 mol 89 unq 1 iso 4 dist 5.51831 6.50464 8.40422 8.46794 8.40425 5.52198 6.60299 6.65534 8.79802 5.88324 numMergedOcc 0
23 mol 89 unq 1 iso 5 dist 5.51831 8.46794 8.40425 6.50464 8.40422 5.52198 6.60299 6.65534 5.88324 8.79802 numMergedOcc 0
24 mol 89 unq 2 iso 0 dist 8.40422 5.52198 8.40425 6.54355 9.65149 7.1456 8.79802 6.65534 5.88324 6.30713 numMergedOcc 0
25 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 5.52198 8.40425 7.1456 8.79802 6.65534 6.30713 5.88324 numMergedOcc 0
26 mol 89 unq 2 iso 2 dist 8.40425 5.52198 8.40422 7.1456 9.65149 6.54355 5.88324 6.65534 8.79802 6.30713 numMergedOcc 0
27 mol 89 unq 2 iso 3 dist 8.40425 7.1456 9.65149 5.52198 8.40422 6.54355 5.88324 6.65534 6.30713 8.79802 numMergedOcc 0
28 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 7.1456 8.40425 5.52198 6.30713 6.65534 8.79802 5.88324 numMergedOcc 0
29 mol 89 unq 2 iso 5 dist 9.65149 7.1456 8.40425 6.54355 8.40422 5.52198 6.30713 6.65534 5.88324 8.79802 numMergedOcc 0
30 mol 89 unq 1 iso 0 dist 8.40422 9.1532 7.47974 6.50464 5.51831 10.4087 8.79802 6.65534 6.52312 6.60299 numMergedOcc 0
31 mol 89 unq 1 iso 1 dist 8.40422 6.50464 5.51831 9.1532 7.47974 10.4087 8.79802 6.65534 6.60299 6.52312 numMergedOcc 0
32 mol 89 unq 1 iso 2 dist 7.47974 9.1532 8.40422 10.4087 5.51831 6.50464 6.52312 6.65534 8.79802 6.60299 numMergedOcc 0
33 mol 89 unq 1 iso 3 dist 7.47974 10.4087 5.51831 9.1532 8.40422 6.50464 6.52312 6.65534 6.60299 8.79802 numMergedOcc 0
34 mol 89 unq 1 iso 4 dist 5.51831 6.50464 8.40422 10.4087 7.47974 9.1532 6.60299 6.65534 8.79802 6.52312 numMergedOcc 0
35 mol 89 unq 1 iso 5 dist 5.51831 10.4087 7.47974 6.50464 8.40422 9.1532 6.60299 6.65534 6.52312 8.79802 numMergedOcc 0
36 mol 89 unq 2 iso 0 dist 8.40422 9.1532 7.47974 6.54355 9.65149 10.8948 8.79802 6.65534 6.52312 6.30713 numMergedOcc 0
37 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 9.1532 7.47974 10.8948 8.79802 6.65534 6.30713 6.52312 numMergedOcc 0
38 mol 89 unq 2 iso 2 dist 7.47974 9.1532 8.40422 10.8948 9.65149 6.54355 6.52312 6.65534 8.79802 6.30713 numMergedOcc 0
39 mol 89 unq 2 iso 3 dist 7.47974 10.8948 9.65149 9.1532 8.40422 6.54355 6.52312 6.65534 6.30713 8.79802 numMergedOcc 0
40 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 10.8948 7.47974 9.1532 6.30713 6.65534 8.79802 6.52312 numMergedOcc 0
41 mol 89 unq 2 iso 5 dist 9.65149 10.8948 7.47974 6.54355 8.40422 9.1532 6.30713 6.65534 6.52312 8.79802 numMergedOcc 0
42 mol 89 unq 2 iso 0 dist 8.40422 6.50464 5.51831 6.54355 9.65149 5.45013 8.79802 6.65534 6.60299 6.30713 numMergedOcc 0
43 mol 89 unq 2 iso 1 dist 8.40422 6.54355 9.65149 6.50464 5.51831 5.45013 8.79802 6.65534 6.30713 6.60299 numMergedOcc 0
44 mol 89 unq 2 iso 2 dist 5.51831 6.50464 8.40422 5.45013 9.65149 6.54355 6.60299 6.65534 8.79802 6.30713 numMergedOcc 0
45 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 6.50464 8.40422 6.54355 6.60299 6.65534 6.30713 8.79802 numMergedOcc 0
46 mol 89 unq 2 iso 4 dist 9.65149 6.54355 8.40422 5.45013 5.51831 6.50464 6.30713 6.65534 8.79802 6.60299 numMergedOcc 0
47 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 6.54355 8.40422 6.50464 6.30713 6.65534 6.60299 8.79802 numMergedOcc 0
48 mol 89 unq 1 iso 0 dist 8.40425 4.8812 7.47974 8.46794 5.51831 10.4087 5.88324 6.65534 6.52312 6.60299 numMergedOcc 0
49 mol 89 unq 1 iso 1 dist 8.40425 8.46794 5.51831 4.8812 7.47974 10.4087 5.88324 6.65534 6.60299 6.52312 numMergedOcc 0
50 mol 89 unq 1 iso 2 dist 7.47974 4.8812 8.40425 10.4087 5.51831 8.46794 6.52312 6.65534 5.88324 6.60299 numMergedOcc 0
51 mol 89 unq 1 iso 3 dist 7.47974 10.4087 5.51831 4.8812 8.40425 8.46794 6.52312 6.65534 6.60299 5.88324 numMergedOcc 0
52 mol 89 unq 1 iso 4 dist 5.51831 8.46794 8.40425 10.4087 7.47974 4.8812 6.60299 6.65534 5.88324 6.52312 numMergedOcc 0
53 mol 89 unq 1 iso 5 dist 5.51831 10.4087 7.47974 8.46794 8.40425 4.8812 6.60299 6.65534 6.52312 5.88324 numMergedOcc 0
54 mol 89 unq 2 iso 0 dist 8.40425 4.8812 7.47974 7.1456 9.65149 10.8948 5.88324 6.65534 6.52312 6.30713 numMergedOcc 0
55 mol 89 unq 2 iso 1 dist 8.40425 7.1456 9.65149 4.8812 7.47974 10.8948 5.88324 6.65534 6.30713 6.52312 numMergedOcc 0
56 mol 89 unq 2 iso 2 dist 7.47974 4.8812 8.40425 10.8948 9.65149 7.1456 6.52312 6.65534 5.88324 6.30713 numMergedOcc 0
57 mol 89 unq 2 iso 3 dist 7.47974 10.8948 9.65149 4.8812 8.40425 7.1456 6.52312 6.65534 6.30713 5.88324 numMergedOcc 0
58 mol 89 unq 2 iso 4 dist 9.65149 7.1456 8.40425 10.8948 7.47974 4.8812 6.30713 6.65534 5.88324 6.52312 numMergedOcc 0
59 mol 89 unq 2 iso 5 dist 9.65149 10.8948 7.47974 7.1456 8.40425 4.8812 6.30713 6.65534 6.52312 5.88324 numMergedOcc 0
60 mol 89 unq 2 iso 0 dist 8.40425 8.46794 5.51831 7.1456 9.65149 5.45013 5.88324 6.65534 6.60299 6.30713 numMergedOcc 0
61 mol 89 unq 2 iso 1 dist 8.40425 7.1456 9.65149 8.46794 5.51831 5.45013 5.88324 6.65534 6.30713 6.60299 numMergedOcc 0
62 mol 89 unq 2 iso 2 dist 5.51831 8.46794 8.40425 5.45013 9.65149 7.1456 6.60299 6.65534 5.88324 6.30713 numMergedOcc 0
63 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 8.46794 8.40425 7.1456 6.60299 6.65534 6.30713 5.88324 numMergedOcc 0
64 mol 89 unq 2 iso 4 dist 9.65149 7.1456 8.40425 5.45013 5.51831 8.46794 6.30713 6.65534 5.88324 6.60299 numMergedOcc 0
65 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 7.1456 8.40425 8.46794 6.30713 6.65534 6.60299 5.88324 numMergedOcc 0
66 mol 89 unq 2 iso 0 dist 7.47974 10.4087 5.51831 10.8948 9.65149 5.45013 6.52312 6.65534 6.60299 6.30713 numMergedOcc 0
67 mol 89 unq 2 iso 1 dist 7.47974 10.8948 9.65149 10.4087 5.51831 5.45013 6.52312 6.65534 6.30713 6.60299 numMergedOcc 0
68 mol 89 unq 2 iso 2 dist 5.51831 10.4087 7.47974 5.45013 9.65149 10.8948 6.60299 6.65534 6.52312 6.30713 numMergedOcc 0
69 mol 89 unq 2 iso 3 dist 5.51831 5.45013 9.65149 10.4087 7.47974 10.8948 6.60299 6.65534 6.30713 6.52312 numMergedOcc 0
70 mol 89 unq 2 iso 4 dist 9.65149 10.8948 7.47974 5.45013 5.51831 10.4087 6.30713 6.65534 6.52312 6.60299 numMergedOcc 0
71 mol 89 unq 2 iso 5 dist 9.65149 5.45013 5.51831 10.8948 7.47974 10.4087 6.30713 6.65534 6.60299 6.52312 numMergedOcc 0
72 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.40073 5.2571 9.42358 7.32662 8.75597 13.4985 6.934 numMergedOcc 0
73 mol 98 unq 0 iso 1 dist 5.10496 8.40073 5.2571 9.51923 5.92242 9.42358 7.32662 8.75597 6.934 13.4985 numMergedOcc 0
74 mol 98 unq 0 iso 2 dist 5.92242 9.51923 5.10496 9.42358 5.2571 8.40073 13.4985 8.75597 7.32662 6.934 numMergedOcc 0
75 mol 98 unq 0 iso 3 dist 5.92242 9.42358 5.2571 9.51923 5.10496 8.40073 13.4985 8.75597 6.934 7.32662 numMergedOcc 0
76 mol 98 unq 0 iso 4 dist 5.2571 8.40073 5.10496 9.42358 5.92242 9.51923 6.934 8.75597 7.32662 13.4985 numMergedOcc 0
77 mol 98 unq 0 iso 5 dist 5.2571 9.42358 5.92242 8.40073 5.10496 9.51923 6.934 8.75597 13.4985 7.32662 numMergedOcc 0
78 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 8.40073 5.2571 9.42358 12.3881 9.18457 7.89505 13.1975 numMergedOcc 0
79 mol 98 unq 1 iso 1 dist 5.10496 8.40073 5.2571 9.51923 5.92242 9.42358 12.3881 9.18457 13.1975 7.89505 numMergedOcc 0
80 mol 98 unq 1 iso 2 dist 5.92242 9.51923 5.10496 9.42358 5.2571 8.40073 7.89505 9.18457 12.3881 13.1975 numMergedOcc 0
81 mol 98 unq 1 iso 3 dist 5.92242 9.42358 5.2571 9.51923 5.10496 8.40073 7.89505 9.18457 13.1975 12.3881 numMergedOcc 0
82 mol 98 unq 1 iso 4 dist 5.2571 8.40073 5.10496 9.42358 5.92242 9.51923 13.1975 9.18457 12.3881 7.89505 numMergedOcc 0
83 mol 98 unq 1 iso 5 dist 5.2571 9.42358 5.92242 8.40073 5.10496 9.51923 13.1975 9.18457 7.89505 12.3881 numMergedOcc 0
84 mol 98 unq 2 iso 0 dist 5.10496 9.51923 5.92242 10.2427 8.7497 13.9786 7.32662 8.75597 13.4985 7.17433 numMergedOcc 0
85 mol 98 unq 2 iso 1 dist 5.10496 10.2427 8.7497 9.51923 5.92242 13.9786 7.32662 8.75597 7.17433 13.4985 numMergedOcc 0
86 mol 98 unq 2 iso 2 dist 5.92242 9.51923 5.10496 13.9786 8.7497 10.2427 13.4985 8.75597 7.32662 7.17433 numMergedOcc 0
87 mol 98 unq 2 iso 3 dist 5.92242 13.9786 8.7497 9.51923 5.10496 10.2427 13.4985 8.75597 7.17433 7.32662 numMergedOcc 0
88 mol 98 unq 2 iso 4 dist 8.7497 10.2427 5.10496 13.9786 5.92242 9.51923 7.17433 8.75597 7.32662 13.4985 numMergedOcc 0
89 mol 98 unq 2 iso 5 dist 8.7497 13.9786 5.92242 10.2427 5.10496 9.51923 7.17433 8.75597 13.4985 7.32662 numMergedOcc 0
90 mol 98 unq 3 iso 0 dist 5.10496 9.51923 5.92242 10.2427 8.7497 13.9786 12.3881 9.18457 7.89505 15.9953 numMergedOcc 0
91 mol 98 unq 3 iso 1 dist 5.10496 10.2427 8.7497 9.51923 5.92242 13.9786 12.3881 9.18457 15.9953 7.89505 numMergedOcc 0
92 mol 98 unq 3 iso 2 dist 5.92242 9.51923 5.10496 13.9786 8.7497 10.2427 7.89505 9.18457 12.3881 15.9953 numMergedOcc 0
93 mol 98 unq 3 iso 3 dist 5.92242 13.9786 8.7497 9.51923 5.10496 10.2427 7.89505 9.18457 15.9953 12.3881 numMergedOcc 0
94 mol 98 unq 3 iso 4 dist 8.7497 10.2427 5.10496 13.9786 5.92242 9.51923 15.9953 9.18457 12.3881 7.89505 numMergedOcc 0
95 mol 98 unq 3 iso 5 dist 8.7497 13.9786 5.92242 10.2427 5.10496 9.51923 15.9953 9.18457 7.89505 12.3881 numMergedOcc 0
96 mol 98 unq 2 iso 0 dist 5.10496 8.40073 5.2571 10.2427 8.7497 5.02887 7.32662 8.75597 6.934 7.17433 numMergedOcc 0
97 mol 98 unq 2 iso 1 dist 5.10496 10.2427 8.7497 8.40073 5.2571 5.02887 7.32662 8.75597 7.17433 6.934 numMergedOcc 0
98 mol 98 unq 2 iso 2 dist 5.2571 8.40073 5.10496 5.02887 8.7497 10.2427 6.934 8.75597 7.32662 7.17433 numMergedOcc 0
99 mol 98 unq 2 iso 3 dist 5.2571 5.02887 8.7497 8.40073 5.10496 10.2427 6.934 8.75597 7.17433 7.32662 numMergedOcc 0
100 mol 98 unq 2 iso 4 dist 8.7497 10.2427 5.10496 5.02887 5.2571 8.40073 7.17433 8.75597 7.32662 6.934 numMergedOcc 0
101 mol 98 unq 2 iso 5 dist 8.7497 5.02887 5.2571 10.2427 5.10496 8.40073 7.17433 8.75597 6.934 7.32662 numMergedOcc 0
102 mol 98 unq 3 iso 0 dist 5.10496 8.40073 5.2571 10.2427 8.7497 5.02887 12.3881 9.18457 13.1975 15.9953 numMergedOcc 0
103 mol 98 unq 3 iso 1 dist 5.10496 10.2427 8.7497 8.40073 5.2571 5.02887 12.3881 9.18457 15.9953 13.1975 numMergedOcc 0
104 mol 98 unq 3 iso 2 dist 5.2571 8.40073 5.10496 5.02887 8.7497 10.2427 13.1975 9.18457 12.3881 15.9953 numMergedOcc 0
105 mol 98 unq 3 iso 3 dist 5.2571 5.02887 8.7497 8.40073 5.10496 10.2427 13.1975 9.18457 15.9953 12.3881 numMergedOcc 0
106 mol 98 unq 3 iso 4 dist 8.7497 10.2427 5.10496 5.02887 5.2571 8.40073 15.9953 9.18457 12.3881 13.1975 numMergedOcc 0
107 mol 98 unq 3 iso 5 dist 8.7497 5.02887 5.2571 10.2427 5.10496 8.40073 15.9953 9.18457 13.1975 12.3881 numMergedOcc 0
108 mol 98 unq 4 iso 0 dist 9.64383 13.659 7.54889 14.591 7.78931 5.02887 8.76845 6.83746 13.9572 14.5341 numMergedOcc 0
109 mol 98 unq 4 iso 1 dist 9.64383 14.591 7.78931 13.659 7.54889 5.02887 8.76845 6.83746 14.5341 13.9572 numMergedOcc 0
110 mol 98 unq 4 iso 2 dist 7.54889 13.659 9.64383 5.02887 7.78931 14.591 13.9572 6.83746 8.76845 14.5341 numMergedOcc 0
111 mol 98 unq 4 iso 3 dist 7.54889 5.02887 7.78931 13.659 9.64383 14.591 13.9572 6.83746 14.5341 8.76845 numMergedOcc 0
112 mol 98 unq 4 iso 4 dist 7.78931 14.591 9.64383 5.02887 7.54889 13.659 14.5341 6.83746 8.76845 13.9572 numMergedOcc 0
113 mol 98 unq 4 iso 5 dist 7.78931 5.02887 7.54889 14.591 9.64383 13.659 14.5341 6.83746 13.9572 8.76845 numMergedOcc 0
114 mol 98 unq 5 iso 0 dist 9.64383 13.659 7.54889 14.591 7.78931 5.02887 11.7715 9.14707 13.1975 15.9953 numMergedOcc 0
115 mol 98 unq 5 iso 1 dist 9.64383 14.591 7.78931 13.659 7.54889 5.02887 11.7715 9.14707 15.9953 13.1975 numMergedOcc 0
116 mol 98 unq 5 iso 2 dist 7.54889 13.659 9.64383 5.02887 7.78931 14.591 13.1975 9.14707 11.7715 15.9953 numMergedOcc 0
117 mol 98 unq 5 iso 3 dist 7.54889 5.02887 7.78931 13.659 9.64383 14.591 13.1975 9.14707 15.9953 11.7715 numMergedOcc 0
118 mol 98 unq 5 iso 4 dist 7.78931 14.591 9.64383 5.02887 7.54889 13.659 15.9953 9.14707 11.7715 13.1975 numMergedOcc 0
119 mol 98 unq 5 iso 5 dist 7.78931 5.02887 7.54889 14.591 9.64383 13.659 15.9953 9.14707 13.1975 11.7715 numMergedOcc 0
120 mol 98 unq 2 iso 0 dist 5.92242 9.42358 5.2571 13.9786 8.7497 5.02887 13.4985 8.75597 6.934 7.17433 numMergedOcc 0
121 mol 98 unq 2 iso 1 dist 5.92242 13.9786 8.7497 9.42358 5.2571 5.02887 13.4985 8.75597 7.17433 6.934 numMergedOcc 0
122 mol 98 unq 2 iso 2 dist 5.2571 9.42358 5.92242 5.02887 8.7497 13.9786 6.934 8.75597 13.4985 7.17433 numMergedOcc 0
123 mol 98 unq 2 iso 3 dist 5.2571 5.02887 8.7497 9.42358 5.92242 13.9786 6.934 8.75597 7.17433 13.4985 numMergedOcc 0
124 mol 98 unq 2 iso 4 dist 8.7497 13.9786 5.92242 5.02887 5.2571 9.42358 7.17433 8.75597 13.4985 6.934 numMergedOcc 0
125 mol 98 unq 2 iso 5 dist 8.7497 5.02887 5.2571 13.9786 5.92242 9.42358 7.17433 8.75597 6.934 13.4985 numMergedOcc 0
126 mol 98 unq 3 iso 0 dist 5.92242 9.42358 5.2571 13.9786 8.7497 5.02887 7.89505 9.18457 13.1975 15.9953 numMergedOcc 0
127 mol 98 unq 3 iso 1 dist 5.92242 13.9786 8.7497 9.42358 5.2571 5.02887 7.89505 9.18457 15.9953 13.1975 numMergedOcc 0
128 mol 98 unq 3 iso 2 dist 5.2571 9.42358 5.92242 5.02887 8.7497 13.9786 13.1975 9.18457 7.89505 15.9953 numMergedOcc 0
129 mol 98 unq 3 iso 3 dist 5.2571 5.02887 8.7497 9.42358 5.92242 13.9786 13.1975 9.18457 15.9953 7.89505 numMergedOcc 0
130 mol 98 unq 3 iso 4 dist 8.7497 13.9786 5.92242 5.02887 5.2571 9.42358 15.9953 9.18457 7.89505 13.1975 numMergedOcc 0
131 mol 98 unq 3 iso 5 dist 8.7497 5.02887 5.2571 13.9786 5.92242 9.42358 15.9953 9.18457 13.1975 7.89505 numMergedOcc 0
132 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 6.34999 4.22363 6.72751 7.83771 7.34602 11.4843 9.97869 numMergedOcc 0
133 mol 112 unq 0 iso 1 dist 7.7988 6.34999 4.22363 4.97527 9.40824 6.72751 7.83771 7.34602 9.97869 11.4843 numMergedOcc 0
134 mol 112 unq 0 iso 2 dist 9.40824 4.97527 7.7988 6.72751 4.22363 6.34999 11.4843 7.34602 7.83771 9.97869 numMergedOcc 0
135 mol 112 unq 0 iso 3 dist 9.40824 6.72751 4.22363 4.97527 7.7988 6.34999 11.4843 7.34602 9.97869 7.83771 numMergedOcc 0
136 mol 112 unq 0 iso 4 dist 4.22363 6.34999 7.7988 6.72751 9.40824 4.97527 9.97869 7.34602 7.83771 11.4843 numMergedOcc 0
137 mol 112 unq 0 iso 5 dist 4.22363 6.72751 9.40824 6.34999 7.7988 4.97527 9.97869 7.34602 11.4843 7.83771 numMergedOcc 0
138 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 9.93257 7.64052 4.85907 13.52 9.57341 4.99056 3.78311 numMergedOcc 0
139 mol 119 unq 0 iso 1 dist 8.95212 9.93257 7.64052 10.9871 6.99446 4.85907 13.52 9.57341 3.78311 4.99056 numMergedOcc 0
140 mol 119 unq 0 iso 2 dist 6.99446 10.9871 8.95212 4.85907 7.64052 9.93257 4.99056 9.57341 13.52 3.78311 numMergedOcc 0
141 mol 119 unq 0 iso 3 dist 6.99446 4.85907 7.64052 10.9871 8.95212 9.93257 4.99056 9.57341 3.78311 13.52 numMergedOcc 0
142 mol 119 unq 0 iso 4 dist 7.64052 9.93257 8.95212 4.85907 6.99446 10.9871 3.78311 9.57341 13.52 4.99056 numMergedOcc 0
143 mol 119 unq 0 iso 5 dist 7.64052 4.85907 6.99446 9.93257 8.95212 10.9871 3.78311 9.57341 4.99056 13.52 numMergedOcc 0
144 mol 134 unq 0 iso 0 dist 6.42772 11.6064 9.1998 13.7309 8.70621 7.09823 11.7434 6.99345 5.12325 6.02179 numMergedOcc 0
145 mol 134 unq 0 iso 1 dist 6.42772 13.7309 8.70621 11.6064 9.1998 7.09823 11.7434 6.99345 6.02179 5.12325 numMergedOcc 0
146 mol 134 unq 0 iso 2 dist 9.1998 11.6064 6.42772 7.09823 8.70621 13.7309 5.12325 6.99345 11.7434 6.02179 numMergedOcc 0
147 mol 134 unq 0 iso 3 dist 9.1998 7.09823 8.70621 11.6064 6.42772 13.7309 5.12325 6.99345 6.02179 11.7434 numMergedOcc 0
148 mol 134 unq 0 iso 4 dist 8.70621 13.7309 6.42772 7.09823 9.1998 11.6064 6.02179 6.99345 11.7434 5.12325 numMergedOcc 0
149 mol 134 unq 0 iso 5 dist 8.70621 7.09823 9.1998 13.7309 6.42772 11.6064 6.02179 6.99345 5.12325 11.7434 numMergedOcc 0
150 mol 239 unq 0 iso 0 dist 6.73665 11.347 9.34438 7.97994 9.35949 11.2636 13.1624 8.88763 5.75834 10.7034 numMergedOcc 0
151 mol 239 unq 0 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 13.1624 8.88763 10.7034 5.75834 numMergedOcc 0
152 mol 239 unq 0 iso 2 dist 9.34438 11.347 6.73665 11.2636 9.35949 7.97994 5.75834 8.88763 13.1624 10.7034 numMergedOcc 0
153 mol 239 unq 0 iso 3 dist 9.34438 11.2636 9.35949 11.347 6.73665 7.97994 5.75834 8.88763 10.7034 13.1624 numMergedOcc 0
154 mol 239 unq 0 iso 4 dist 9.35949 7.97994 6.73665 11.2636 9.34438 11.347 10.7034 8.88763 13.1624 5.75834 numMergedOcc 0
155 mol 239 unq 0 iso 5 dist 9.35949 11.2636 9.34438 7.97994 6.73665 11.347 10.7034 8.88763 5.75834 13.1624 numMergedOcc 0
156 mol 239 unq 1 iso 0 dist 6.73665 11.347 9.34438 7.97994 9.35949 11.2636 7.34872 6.43209 7.5231 4.15997 numMergedOcc 0
157 mol 239 unq 1 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 7.34872 6.43209 4.15997 7.5231 numMergedOcc 0
158 mol 239 unq 1 iso 2 dist 9.34438 11.347 6.73665 11.2636 9.35949 7.97994 7.5231 6.43209 7.34872 4.15997 numMergedOcc 0
159 mol 239 unq 1 iso 3 dist 9.34438 11.2636 9.35949 11.347 6.73665 7.97994 7.5231 6.43209 4.15997 7.34872 numMergedOcc 0
160 mol 239 unq 1 iso 4 dist 9.35949 7.97994 6.73665 11.2636 9.34438 11.347 4.15997 6.43209 7.34872 7.5231 numMergedOcc 0
161 mol 239 unq 1 iso 5 dist 9.35949 11.2636 9.34438 7.97994 6.73665 11.347 4.15997 6.43209 7.5231 7.34872 numMergedOcc 0
162 mol 239 unq 2 iso 0 dist 6.73665 11.347 9.34438 7.97994 9.35949 11.2636 8.9361 8.48769 14.4518 5.66218 numMergedOcc 0
163 mol 239 unq 2 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 8.9361 8.48769 5.66218 14.4518 numMergedOcc 0
164 mol 239 unq 2 iso 2 dist 9.34438 11.347 6.73665 11.2636 9.35949 7.97994 14.4518 8.48769 8.9361 5.66218 numMergedOcc 0
165 mol 239 unq 2 iso 3 dist 9.34438 11.2636 9.35949 11.347 6.73665 7.97994 14.4518 8.48769 5.66218 8.9361 numMergedOcc 0
166 mol 239 unq 2 iso 4 dist 9.35949 7.97994 6.73665 11.2636 9.34438 11.347 5.66218 8.48769 8.9361 14.4518 numMergedOcc 0
167 mol 239 unq 2 iso 5 dist 9.35949 11.2636 9.34438 7.97994 6.73665 11.347 5.66218 8.48769 14.4518 8.9361 numMergedOcc 0
168 mol 264 unq 0 iso 0 dist 5.90924 7.07277 5.90058 8.96144 9.58916 14.3597 4.48907 7.14086 9.09085 10.1591 numMergedOcc 0
169 mol 264 unq 0 iso 1 dist 5.90924 8.96144 9.58916 7.07277 5.90058 14.3597 4.48907 7.14086 10.1591 9.09085 numMergedOcc 0
170 mol 264 unq 0 iso 2 dist 5.90058 7.07277 5.90924 14.3597 9.58916 8.96144 9.09085 7.14086 4.48907 10.1591 numMergedOcc 0
171 mol 264 unq 0 iso 3 dist 5.90058 14.3597 9.58916 7.07277 5.90924 8.96144 9.09085 7.14086 10.1591 4.48907 numMergedOcc 0
172 mol 264 unq 0 iso 4 dist 9.58916 8.96144 5.90924 14.3597 5.90058 7.07277 10.1591 7.14086 4.48907 9.09085 numMergedOcc 0
173 mol 264 unq 0 iso 5 dist 9.58916 14.3597 5.90058 8.96144 5.90924 7.07277 10.1591 7.14086 9.09085 4.48907 numMergedOcc 0
174 mol 292 unq 0 iso 0 dist 9.9182 10.3106 7.30758 12.1693 9.10788 12.6861 16.2289 9.84946 9.84292 8.96137 numMergedOcc 0
175 mol 292 unq 0 iso 1 dist 9.9182 12.1693 9.10788 10.3106 7.30758 12.6861 16.2289 9.84946 8.96137 9.84292 numMergedOcc 0
176 mol 292 unq 0 iso 2 dist 7.30758 10.3106 9.9182 12.6861 9.10788 12.1693 9.84292 9.84946 16.2289 8.96137 numMergedOcc 0
177 mol 292 unq 0 iso 3 dist 7.30758 12.6861 9.10788 10.3106 9.9182 12.1693 9.84292 9.84946 8.96137 16.2289 numMergedOcc 0
178 mol 292 unq 0 iso 4 dist 9.10788 12.1693 9.9182 12.6861 7.30758 10.3106 8.96137 9.84946 16.2289 9.84292 numMergedOcc 0
179 mol 292 unq 0 iso 5 dist 9.10788 12.6861 7.30758 12.1693 9.9182 10.3106 8.96137 9.84946 9.84292 16.2289 numMergedOcc 0
