0 mol 25 unq 0 iso 0 dist 9.48085 10.9391 9.49421 12.1492 8.53931 4.70708 6.08585 6.53269 5.77929 6.06874 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.49421 10.9391 9.48085 4.70708 8.53931 12.1492 5.77929 6.53269 6.08585 6.06874 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.48085 10.9391 9.49421 12.1492 8.53931 4.70708 9.15781 9.81524 6.68639 5.16935 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 9.49421 10.9391 9.48085 4.70708 8.53931 12.1492 6.68639 9.81524 9.15781 5.16935 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.66539 5.79773 5.38524 10.8078 7.03126 5.98837 6.49081 9.02642 9.37804 11.6859 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 5.38524 5.79773 8.66539 5.98837 7.03126 10.8078 9.37804 9.02642 6.49081 11.6859 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.66539 5.79773 5.38524 6.35371 9.68228 8.48255 6.49081 9.02642 9.37804 10.8453 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 5.38524 5.79773 8.66539 8.48255 9.68228 6.35371 9.37804 9.02642 6.49081 10.8453 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.66539 10.8779 8.69057 10.8078 7.03126 4.55117 6.49081 9.02642 14.0374 11.6859 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 8.69057 10.8779 8.66539 4.55117 7.03126 10.8078 14.0374 9.02642 6.49081 11.6859 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.66539 10.8779 8.69057 6.35371 9.68228 13.3401 6.49081 9.02642 14.0374 10.8453 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 8.69057 10.8779 8.66539 13.3401 9.68228 6.35371 14.0374 9.02642 6.49081 10.8453 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 5.38524 5.47421 8.69057 5.98837 7.03126 4.55117 9.37804 9.02642 14.0374 11.6859 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 8.69057 5.47421 5.38524 4.55117 7.03126 5.98837 14.0374 9.02642 9.37804 11.6859 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 5.38524 5.47421 8.69057 8.48255 9.68228 13.3401 9.37804 9.02642 14.0374 10.8453 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 8.69057 5.47421 5.38524 13.3401 9.68228 8.48255 14.0374 9.02642 9.37804 10.8453 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 7.94178 9.84703 15.7178 10.2677 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 15.7178 9.84703 7.94178 10.2677 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 4.4057 4.62494 7.42446 5.71029 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 7.42446 4.62494 4.4057 5.71029 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 7.94178 9.84703 9.85543 10.2677 numMergedOcc 0
21 mol 98 unq 2 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 9.85543 9.84703 7.94178 10.2677 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 4.4057 4.62494 9.67482 5.71029 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 9.67482 4.62494 4.4057 5.71029 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 7.94178 9.84703 7.28361 10.2677 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 7.28361 9.84703 7.94178 10.2677 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 4.4057 4.62494 12.0974 5.71029 numMergedOcc 0
27 mol 98 unq 5 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 12.0974 4.62494 4.4057 5.71029 numMergedOcc 0
28 mol 98 unq 6 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 18.5442 9.25444 9.85543 10.2677 numMergedOcc 0
29 mol 98 unq 6 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 9.85543 9.25444 18.5442 10.2677 numMergedOcc 0
30 mol 98 unq 7 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 16.4267 8.46823 9.67482 5.71029 numMergedOcc 0
31 mol 98 unq 7 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 9.67482 8.46823 16.4267 5.71029 numMergedOcc 0
32 mol 98 unq 8 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 18.5442 9.25444 7.28361 10.2677 numMergedOcc 0
33 mol 98 unq 8 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 7.28361 9.25444 18.5442 10.2677 numMergedOcc 0
34 mol 98 unq 9 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 16.4267 8.46823 12.0974 5.71029 numMergedOcc 0
35 mol 98 unq 9 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 12.0974 8.46823 16.4267 5.71029 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 15.7178 9.84703 9.85543 10.2677 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 9.85543 9.84703 15.7178 10.2677 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 7.42446 4.62494 9.67482 5.71029 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 9.67482 4.62494 7.42446 5.71029 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 15.7178 9.84703 7.28361 10.2677 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 7.28361 9.84703 15.7178 10.2677 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 7.42446 4.62494 12.0974 5.71029 numMergedOcc 0
43 mol 98 unq 5 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 12.0974 4.62494 7.42446 5.71029 numMergedOcc 0
44 mol 98 unq 8 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 9.85543 9.25444 7.28361 10.2677 numMergedOcc 0
45 mol 98 unq 8 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 7.28361 9.25444 9.85543 10.2677 numMergedOcc 0
46 mol 98 unq 9 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 9.67482 8.46823 12.0974 5.71029 numMergedOcc 0
47 mol 98 unq 9 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 12.0974 8.46823 9.67482 5.71029 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 9.85543 9.84703 7.28361 10.2677 numMergedOcc 0
49 mol 98 unq 4 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 7.28361 9.84703 9.85543 10.2677 numMergedOcc 0
50 mol 98 unq 5 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 9.67482 4.62494 12.0974 5.71029 numMergedOcc 0
51 mol 98 unq 5 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 12.0974 4.62494 9.67482 5.71029 numMergedOcc 0
52 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 10.3457 6.13374 6.35763 5.13589 8.67537 10.8661 7.39626 numMergedOcc 0
53 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 6.35763 6.13374 10.3457 10.8661 8.67537 5.13589 7.39626 numMergedOcc 0
54 mol 119 unq 1 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 5.13589 8.67537 10.8661 15.4934 numMergedOcc 0
55 mol 119 unq 1 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 10.8661 8.67537 5.13589 15.4934 numMergedOcc 0
56 mol 119 unq 2 iso 0 dist 8.95212 9.93257 7.64052 10.3457 6.13374 10.0197 5.13589 8.67537 12.0175 7.39626 numMergedOcc 0
57 mol 119 unq 2 iso 1 dist 7.64052 9.93257 8.95212 10.0197 6.13374 10.3457 12.0175 8.67537 5.13589 7.39626 numMergedOcc 0
58 mol 119 unq 3 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 5.13589 8.67537 12.0175 15.4934 numMergedOcc 0
59 mol 119 unq 3 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 12.0175 8.67537 5.13589 15.4934 numMergedOcc 0
60 mol 119 unq 2 iso 0 dist 6.99446 4.85907 7.64052 6.35763 6.13374 10.0197 10.8661 8.67537 12.0175 7.39626 numMergedOcc 0
61 mol 119 unq 2 iso 1 dist 7.64052 4.85907 6.99446 10.0197 6.13374 6.35763 12.0175 8.67537 10.8661 7.39626 numMergedOcc 0
62 mol 119 unq 3 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 10.8661 8.67537 12.0175 15.4934 numMergedOcc 0
63 mol 119 unq 3 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 12.0175 8.67537 10.8661 15.4934 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 14.0644 5.73203 5.9915 6.98221 7.83568 14.2198 12.2578 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 5.9915 5.73203 14.0644 14.2198 7.83568 6.98221 12.2578 numMergedOcc 0
66 mol 167 unq 0 iso 0 dist 6.84752 6.44246 7.86563 7.69326 7.30954 9.46955 4.64019 8.86449 5.90938 6.09121 numMergedOcc 0
67 mol 167 unq 0 iso 1 dist 7.86563 6.44246 6.84752 9.46955 7.30954 7.69326 5.90938 8.86449 4.64019 6.09121 numMergedOcc 0
68 mol 167 unq 1 iso 0 dist 6.84752 4.70068 7.02548 7.69326 7.30954 6.36909 4.64019 8.86449 7.08726 6.09121 numMergedOcc 0
69 mol 167 unq 1 iso 1 dist 7.02548 4.70068 6.84752 6.36909 7.30954 7.69326 7.08726 8.86449 4.64019 6.09121 numMergedOcc 0
70 mol 167 unq 1 iso 0 dist 7.86563 10.3445 7.02548 9.46955 7.30954 6.36909 5.90938 8.86449 7.08726 6.09121 numMergedOcc 0
71 mol 167 unq 1 iso 1 dist 7.02548 10.3445 7.86563 6.36909 7.30954 9.46955 7.08726 8.86449 5.90938 6.09121 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 9.01624 11.5866 5.05973 6.7991 6.76746 8.35755 7.20191 5.99437 5.48529 7.30555 numMergedOcc 0
73 mol 181 unq 0 iso 1 dist 5.05973 11.5866 9.01624 8.35755 6.76746 6.7991 5.48529 5.99437 7.20191 7.30555 numMergedOcc 0
74 mol 224 unq 0 iso 0 dist 8.08349 10.3613 9.78218 10.7113 5.73591 11.4252 10.7174 5.05368 6.51732 6.957 numMergedOcc 0
75 mol 224 unq 0 iso 1 dist 9.78218 10.3613 8.08349 11.4252 5.73591 10.7113 6.51732 5.05368 10.7174 6.957 numMergedOcc 0
76 mol 224 unq 1 iso 0 dist 8.08349 10.3613 9.78218 11.4491 8.55345 9.14568 10.7174 5.05368 6.51732 7.16077 numMergedOcc 0
77 mol 224 unq 1 iso 1 dist 9.78218 10.3613 8.08349 9.14568 8.55345 11.4491 6.51732 5.05368 10.7174 7.16077 numMergedOcc 0
78 mol 234 unq 0 iso 0 dist 7.81215 10.2693 5.64285 5.56749 9.11572 8.0608 10.0059 7.77911 5.08515 7.17691 numMergedOcc 0
79 mol 234 unq 0 iso 1 dist 5.64285 10.2693 7.81215 8.0608 9.11572 5.56749 5.08515 7.77911 10.0059 7.17691 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 7.81215 10.2693 5.64285 15.015 9.49229 5.34613 10.0059 7.77911 5.08515 6.51967 numMergedOcc 0
81 mol 234 unq 1 iso 1 dist 5.64285 10.2693 7.81215 5.34613 9.49229 15.015 5.08515 7.77911 10.0059 6.51967 numMergedOcc 0
82 mol 234 unq 2 iso 0 dist 7.81215 10.2693 5.64285 12.1076 7.20293 6.29366 10.0059 7.77911 5.08515 4.51304 numMergedOcc 0
83 mol 234 unq 2 iso 1 dist 5.64285 10.2693 7.81215 6.29366 7.20293 12.1076 5.08515 7.77911 10.0059 4.51304 numMergedOcc 0
84 mol 267 unq 0 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 9.14203 6.27154 8.37094 10.0939 numMergedOcc 0
85 mol 267 unq 0 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 8.37094 6.27154 9.14203 10.0939 numMergedOcc 0
