0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.7522 8.25891 8.37225 15.0931 8.34347 8.70636 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.10899 5.70643 7.78892 10.8741 9.24927 13.4993 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 9.00229 12.9552 9.75265 10.1484 8.95999 5.03467 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 4.96726 9.67592 7.26966 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 6.95595 4.18109 9.20448 12.7957 7.79912 14.2474 numMergedOcc 0
9 mol 75 unq 1 iso 0 dist 6.95595 4.18109 9.20448 10.309 8.56639 12.103 numMergedOcc 0
10 mol 75 unq 2 iso 0 dist 6.95595 4.18109 9.20448 5.80162 8.59017 5.76778 numMergedOcc 0
11 mol 75 unq 3 iso 0 dist 6.95595 4.01868 6.96759 12.7957 7.79912 13.8905 numMergedOcc 0
12 mol 75 unq 4 iso 0 dist 6.95595 4.01868 6.96759 10.309 8.56639 12.899 numMergedOcc 0
13 mol 75 unq 5 iso 0 dist 6.95595 4.01868 6.96759 5.80162 8.59017 8.41332 numMergedOcc 0
14 mol 75 unq 6 iso 0 dist 6.95595 6.54389 6.97318 12.7957 7.79912 11.2774 numMergedOcc 0
15 mol 75 unq 7 iso 0 dist 6.95595 6.54389 6.97318 10.309 8.56639 11.0206 numMergedOcc 0
16 mol 75 unq 8 iso 0 dist 6.95595 6.54389 6.97318 5.80162 8.59017 6.56982 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 16.8321 9.64673 5.33325 7.27724 12.0894 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 numMergedOcc 0
22 mol 101 unq 0 iso 0 dist 5.22543 6.01775 8.65215 4.50603 6.57035 9.17843 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.3164 12.6973 9.41191 11.5656 8.69985 12.7291 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 7.15985 12.3624 9.90769 6.68714 9.60462 13.4578 numMergedOcc 0
25 mol 112 unq 1 iso 0 dist 7.15985 12.3624 9.90769 6.71889 7.45389 6.69178 numMergedOcc 0
26 mol 122 unq 0 iso 0 dist 6.78949 4.24711 8.75778 7.54208 8.37808 9.00329 numMergedOcc 0
27 mol 122 unq 1 iso 0 dist 9.40018 13.7131 8.75778 11.0216 8.37808 9.00329 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 14.5776 8.54584 15.4586 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 5.86531 4.98521 9.47554 6.26797 7.11802 5.34829 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.92932 5.73962 9.16358 10.5108 8.94367 10.0911 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 9.92932 5.73962 9.16358 6.20443 9.86662 9.66197 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.60411 5.73962 6.48328 10.5108 6.37586 10.0911 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.60411 5.73962 6.48328 6.20443 9.71307 9.66197 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.55556 10.971 9.16358 11.9294 8.94367 10.0911 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.55556 10.971 9.16358 6.36794 9.86662 9.66197 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 numMergedOcc 0
41 mol 167 unq 0 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 4.6995 6.03031 7.17157 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 5.96555 4.12904 8.52924 10.7091 7.26832 11.993 numMergedOcc 0
44 mol 205 unq 2 iso 0 dist 5.96555 4.12904 8.52924 5.87892 7.80463 9.67882 numMergedOcc 0
45 mol 206 unq 0 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 numMergedOcc 0
46 mol 206 unq 1 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 numMergedOcc 0
47 mol 214 unq 0 iso 0 dist 9.51764 8.79059 9.92165 6.28065 9.65138 10.1227 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 9.51764 8.79059 9.92165 11.2159 7.14453 6.83063 numMergedOcc 0
49 mol 214 unq 2 iso 0 dist 9.51764 8.79059 9.92165 6.53326 8.85478 12.7439 numMergedOcc 0
50 mol 214 unq 3 iso 0 dist 5.36829 10.6379 9.92165 11.7583 9.65138 10.1227 numMergedOcc 0
51 mol 214 unq 4 iso 0 dist 5.36829 10.6379 9.92165 4.98764 7.14453 6.83063 numMergedOcc 0
52 mol 214 unq 5 iso 0 dist 5.36829 10.6379 9.92165 12.3481 8.85478 12.7439 numMergedOcc 0
53 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 6.31508 6.65832 4.46743 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 numMergedOcc 0
55 mol 224 unq 2 iso 0 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 numMergedOcc 0
59 mol 236 unq 3 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 numMergedOcc 0
61 mol 236 unq 5 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 12.521 5.72887 7.04671 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.18011 5.72887 7.04671 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 4.7157 5.72887 7.04671 numMergedOcc 0
65 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 9.07501 7.57994 5.59015 numMergedOcc 0
66 mol 249 unq 1 iso 0 dist 6.37672 7.08836 6.26142 4.24014 6.18582 4.77325 numMergedOcc 0
67 mol 249 unq 2 iso 0 dist 8.94023 9.91022 6.26142 9.53929 7.57994 5.59015 numMergedOcc 0
68 mol 249 unq 3 iso 0 dist 8.94023 9.91022 6.26142 5.36989 6.18582 4.77325 numMergedOcc 0
69 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.48867 6.60405 8.81588 numMergedOcc 0
70 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 numMergedOcc 0
71 mol 261 unq 0 iso 0 dist 9.73983 5.96176 7.00833 4.49913 8.45658 6.75336 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 10.8075 9.7748 7.94155 numMergedOcc 0
73 mol 279 unq 0 iso 0 dist 7.74162 6.30894 9.24472 9.5773 9.70696 13.0364 numMergedOcc 0
