0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 7.97324 6.63929 8.33878 6.37382 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.97324 8.33878 6.63929 6.37382 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 7.97324 6.63929 8.33878 7.24362 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.97324 8.33878 6.63929 7.24362 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 7.97324 6.63929 8.33878 13.3417 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.97324 8.33878 6.63929 13.3417 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 7.97324 6.63929 11.8689 6.37382 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.97324 11.8689 6.63929 6.37382 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 7.97324 6.63929 11.8689 7.24362 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.97324 11.8689 6.63929 7.24362 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 7.97324 6.63929 11.8689 13.3417 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.97324 11.8689 6.63929 13.3417 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.97324 8.33878 11.8689 6.37382 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.97324 11.8689 8.33878 6.37382 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.97324 8.33878 11.8689 7.24362 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.97324 11.8689 8.33878 7.24362 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.97324 8.33878 11.8689 13.3417 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.97324 11.8689 8.33878 13.3417 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 6.79185 11.1338 5.54797 6.17433 numMergedOcc 0
19 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 6.79185 5.54797 11.1338 6.17433 numMergedOcc 0
20 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 7.18176 5.93337 4.5482 5.75761 6.55615 9.64358 8.12937 numMergedOcc 0
21 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 7.18176 4.5482 5.93337 5.75761 9.64358 6.55615 8.12937 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 8.96978 8.39969 4.45372 6.33215 numMergedOcc 0
23 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.96978 4.45372 8.39969 6.33215 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 9.33919 15.9091 7.9151 13.2106 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 9.33919 7.9151 15.9091 13.2106 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 9.33919 15.9091 5.44172 13.2106 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 9.33919 5.44172 15.9091 13.2106 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 9.33919 7.9151 5.44172 13.2106 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 9.33919 5.44172 7.9151 13.2106 numMergedOcc 0
30 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 7.16975 7.09323 7.92499 6.23298 numMergedOcc 0
31 mol 75 unq 0 iso 1 dist 8.56639 7.79912 5.64643 5.15851 11.8774 10.0425 7.16975 7.92499 7.09323 6.23298 numMergedOcc 0
32 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 7.16975 7.09323 6.68962 6.23298 numMergedOcc 0
33 mol 75 unq 1 iso 1 dist 8.59017 7.79912 10.4899 5.15851 10.0372 10.0425 7.16975 6.68962 7.09323 6.23298 numMergedOcc 0
34 mol 75 unq 1 iso 0 dist 8.56639 8.59017 7.00674 5.15851 11.8774 10.0372 7.16975 7.92499 6.68962 6.23298 numMergedOcc 0
35 mol 75 unq 1 iso 1 dist 8.59017 8.56639 7.00674 5.15851 10.0372 11.8774 7.16975 6.68962 7.92499 6.23298 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 9.30021 10.4545 12.3178 4.59398 numMergedOcc 0
37 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 9.30021 12.3178 10.4545 4.59398 numMergedOcc 0
38 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 5.62635 10.4545 12.3178 4.59398 numMergedOcc 0
39 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 5.62635 12.3178 10.4545 4.59398 numMergedOcc 0
40 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 7.07868 9.87083 11.3372 10.755 numMergedOcc 0
41 mol 85 unq 2 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 7.07868 11.3372 9.87083 10.755 numMergedOcc 0
42 mol 85 unq 3 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 5.62635 10.4545 7.43006 4.59398 numMergedOcc 0
43 mol 85 unq 3 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 5.62635 7.43006 10.4545 4.59398 numMergedOcc 0
44 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 7.07868 9.87083 4.60756 10.755 numMergedOcc 0
45 mol 85 unq 4 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 7.07868 4.60756 9.87083 10.755 numMergedOcc 0
46 mol 85 unq 3 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 5.62635 12.3178 7.43006 4.59398 numMergedOcc 0
47 mol 85 unq 3 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 5.62635 7.43006 12.3178 4.59398 numMergedOcc 0
48 mol 85 unq 4 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 7.07868 11.3372 4.60756 10.755 numMergedOcc 0
49 mol 85 unq 4 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 7.07868 4.60756 11.3372 10.755 numMergedOcc 0
50 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 6.62561 11.3679 4.91401 8.2236 10.0324 11.1062 6.37061 numMergedOcc 0
51 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 8.2236 11.1062 10.0324 6.37061 numMergedOcc 0
52 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 5.72373 10.2773 10.7123 4.98036 numMergedOcc 0
53 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 5.72373 10.7123 10.2773 4.98036 numMergedOcc 0
54 mol 127 unq 1 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 5.72373 10.2773 10.7123 8.57565 numMergedOcc 0
55 mol 127 unq 1 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 5.72373 10.7123 10.2773 8.57565 numMergedOcc 0
56 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 5.08591 8.19969 5.33769 9.19032 numMergedOcc 0
57 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 5.08591 5.33769 8.19969 9.19032 numMergedOcc 0
58 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 8.03727 8.19969 5.33769 7.15144 numMergedOcc 0
59 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 8.03727 5.33769 8.19969 7.15144 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 8.47008 7.45927 5.83639 5.3049 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 8.47008 5.83639 7.45927 5.3049 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 8.47008 7.45927 5.83639 10.8044 numMergedOcc 0
63 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 8.47008 5.83639 7.45927 10.8044 numMergedOcc 0
64 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 9.19704 8.66809 6.23291 6.52987 4.92241 7.36565 11.6274 numMergedOcc 0
65 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 6.52987 7.36565 4.92241 11.6274 numMergedOcc 0
66 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 9.19704 8.66809 13.231 6.52987 4.92241 10.9417 11.6274 numMergedOcc 0
67 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 6.52987 10.9417 4.92241 11.6274 numMergedOcc 0
68 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 6.52987 7.36565 10.9417 11.6274 numMergedOcc 0
69 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 6.52987 10.9417 7.36565 11.6274 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 7.72403 10.3378 8.83842 6.81789 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 7.72403 8.83842 10.3378 6.81789 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 7.72403 10.3378 5.43327 6.81789 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 7.72403 5.43327 10.3378 6.81789 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 7.72403 8.83842 5.43327 6.81789 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 7.72403 5.43327 8.83842 6.81789 numMergedOcc 0
76 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 6.35438 8.83842 5.43327 10.0213 numMergedOcc 0
77 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 6.35438 5.43327 8.83842 10.0213 numMergedOcc 0
78 mol 234 unq 3 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 6.35438 8.83842 5.43327 6.81789 numMergedOcc 0
79 mol 234 unq 3 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 6.35438 5.43327 8.83842 6.81789 numMergedOcc 0
80 mol 234 unq 4 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 7.27632 10.6728 5.3919 10.6582 numMergedOcc 0
81 mol 234 unq 4 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 7.27632 5.3919 10.6728 10.6582 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 7.64122 10.1317 8.53114 5.15985 numMergedOcc 0
83 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 7.64122 8.53114 10.1317 5.15985 numMergedOcc 0
84 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 7.64122 10.1317 4.63899 5.15985 numMergedOcc 0
85 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 7.64122 4.63899 10.1317 5.15985 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 7.64122 10.1317 8.41812 5.15985 numMergedOcc 0
87 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 7.64122 8.41812 10.1317 5.15985 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 7.64122 8.53114 4.63899 5.15985 numMergedOcc 0
89 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 7.64122 4.63899 8.53114 5.15985 numMergedOcc 0
90 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 7.64122 8.53114 8.41812 5.15985 numMergedOcc 0
91 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 7.64122 8.41812 8.53114 5.15985 numMergedOcc 0
92 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 7.64122 4.63899 8.41812 5.15985 numMergedOcc 0
93 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 7.64122 8.41812 4.63899 5.15985 numMergedOcc 0
