0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.28925 10.6847 7.58143 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 8.70159 4.87279 8.50789 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 8.70159 4.87279 7.58143 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 5.89134 4.41134 5.93269 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 8.63502 8.20465 5.3298 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 7.97324 6.63929 6.37382 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.97324 6.63929 7.24362 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.97324 6.63929 13.3417 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 7.97324 8.33878 6.37382 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 4.54938 8.23643 6.55187 7.97324 8.33878 7.24362 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 numMergedOcc 0
11 mol 19 unq 6 iso 0 dist 6.864 8.78293 11.4401 7.97324 11.8689 6.37382 numMergedOcc 0
12 mol 19 unq 7 iso 0 dist 6.864 8.23643 12.3093 7.97324 11.8689 7.24362 numMergedOcc 0
13 mol 19 unq 8 iso 0 dist 6.864 7.82528 4.69858 7.97324 11.8689 13.3417 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 9.61998 7.72775 5.09339 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 7.47201 9.49511 7.38466 numMergedOcc 0
16 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 6.79185 11.1338 6.17433 numMergedOcc 0
17 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 6.79185 5.54797 6.17433 numMergedOcc 0
18 mol 52 unq 0 iso 0 dist 9.80098 7.18176 5.93337 5.75761 6.55615 8.12937 numMergedOcc 0
19 mol 52 unq 1 iso 0 dist 7.34143 7.18176 4.5482 5.75761 9.64358 8.12937 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 8.96978 8.39969 6.33215 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 8.96978 4.45372 6.33215 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.33919 15.9091 13.2106 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 9.75218 8.70133 15.9882 9.33919 5.44172 13.2106 numMergedOcc 0
26 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 7.16975 7.09323 6.23298 numMergedOcc 0
27 mol 75 unq 1 iso 0 dist 8.56639 5.15851 11.8774 7.16975 7.92499 6.23298 numMergedOcc 0
28 mol 75 unq 2 iso 0 dist 8.59017 5.15851 10.0372 7.16975 6.68962 6.23298 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.30021 10.4545 4.59398 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 5.62635 10.4545 4.59398 numMergedOcc 0
31 mol 85 unq 2 iso 0 dist 7.47541 7.22293 7.98917 7.07868 9.87083 10.755 numMergedOcc 0
32 mol 85 unq 3 iso 0 dist 6.19965 9.47876 11.6116 9.30021 12.3178 4.59398 numMergedOcc 0
33 mol 85 unq 4 iso 0 dist 7.66905 7.22293 11.6116 5.62635 12.3178 4.59398 numMergedOcc 0
34 mol 85 unq 5 iso 0 dist 7.66905 7.22293 11.6116 7.07868 11.3372 10.755 numMergedOcc 0
35 mol 85 unq 6 iso 0 dist 5.73196 7.22293 6.47779 5.62635 7.43006 4.59398 numMergedOcc 0
36 mol 85 unq 7 iso 0 dist 5.73196 7.22293 6.47779 7.07868 4.60756 10.755 numMergedOcc 0
37 mol 86 unq 0 iso 0 dist 9.5497 7.79359 9.68893 6.81209 7.71512 7.20037 numMergedOcc 0
38 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 6.066 6.81076 7.39092 numMergedOcc 0
39 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 6.066 6.81076 8.30564 numMergedOcc 0
40 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 8.2236 10.0324 6.37061 numMergedOcc 0
41 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 8.2236 11.1062 6.37061 numMergedOcc 0
42 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 5.72373 10.2773 4.98036 numMergedOcc 0
43 mol 127 unq 1 iso 0 dist 8.14887 7.34519 7.41404 5.72373 10.2773 8.57565 numMergedOcc 0
44 mol 127 unq 2 iso 0 dist 9.30299 8.59981 14.085 5.72373 10.7123 4.98036 numMergedOcc 0
45 mol 127 unq 3 iso 0 dist 9.30299 7.34519 13.1312 5.72373 10.7123 8.57565 numMergedOcc 0
46 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 7.19937 10.8443 6.73645 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 5.08591 8.19969 9.19032 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 5.08591 5.33769 9.19032 numMergedOcc 0
49 mol 175 unq 2 iso 0 dist 5.6234 9.0664 5.28109 8.03727 8.19969 7.15144 numMergedOcc 0
50 mol 175 unq 3 iso 0 dist 9.92231 9.0664 7.14477 8.03727 5.33769 7.15144 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 8.47008 7.45927 5.3049 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.81386 7.37327 11.1462 8.47008 7.45927 10.8044 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 numMergedOcc 0
55 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 8.02386 8.98864 5.93544 numMergedOcc 0
56 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 6.6259 6.24432 9.85132 numMergedOcc 0
57 mol 197 unq 2 iso 0 dist 8.56633 7.85058 8.72637 8.02386 8.98864 10.8955 numMergedOcc 0
58 mol 197 unq 3 iso 0 dist 8.56633 7.85058 8.72637 6.6259 6.24432 10.636 numMergedOcc 0
59 mol 197 unq 4 iso 0 dist 8.56633 9.96638 5.69148 8.02386 8.98864 5.28951 numMergedOcc 0
60 mol 197 unq 5 iso 0 dist 8.56633 9.96638 5.69148 6.6259 6.24432 10.698 numMergedOcc 0
61 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 6.52987 4.92241 11.6274 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 6.52987 7.36565 11.6274 numMergedOcc 0
63 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 6.52987 10.9417 11.6274 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 7.72403 10.3378 6.81789 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 7.72403 8.83842 6.81789 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 7.72403 5.43327 6.81789 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 9.45496 9.5707 15.9563 6.35438 8.83842 10.0213 numMergedOcc 0
68 mol 234 unq 4 iso 0 dist 9.45496 7.85175 11.216 6.35438 8.83842 6.81789 numMergedOcc 0
69 mol 234 unq 5 iso 0 dist 6.7625 9.5707 14.4106 6.35438 5.43327 10.0213 numMergedOcc 0
70 mol 234 unq 6 iso 0 dist 6.7625 7.85175 11.4315 6.35438 5.43327 6.81789 numMergedOcc 0
71 mol 234 unq 7 iso 0 dist 8.41436 6.16063 11.3297 7.27632 10.6728 10.6582 numMergedOcc 0
72 mol 234 unq 8 iso 0 dist 8.92474 6.16063 10.2563 7.27632 5.3919 10.6582 numMergedOcc 0
73 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 6.09177 6.41859 9.2906 numMergedOcc 0
74 mol 239 unq 1 iso 0 dist 7.00034 7.20082 7.04058 7.18198 9.00586 4.76769 numMergedOcc 0
75 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 9.72168 12.0476 9.71947 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 numMergedOcc 0
77 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 7.64122 8.53114 5.15985 numMergedOcc 0
78 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 7.64122 4.63899 5.15985 numMergedOcc 0
79 mol 259 unq 3 iso 0 dist 9.18903 7.48005 12.6649 7.64122 8.41812 5.15985 numMergedOcc 0
