0 mol 11 unq 0 iso 0 dist 5.47299 5.19841 4.79838 12.9682 9.89425 9.58844 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.72377 4.81351 5.9972 9.9172 8.78511 5.19476 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.99145 4.948 8.4441 6.75665 9.41098 4.53851 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.89752 5.20585 4.53565 9.11789 7.7927 8.48136 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.89752 5.20585 4.53565 8.94949 6.17378 6.27695 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.24708 16.1717 9.03391 12.9186 9.41463 6.06742 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.33736 6.06895 8.98478 6.02257 9.10675 9.74222 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.988 6.42159 8.10723 4.45758 6.23509 6.61741 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.67342 13.9882 5.61151 7.74857 4.29937 7.2898 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.67342 13.9882 5.61151 10.4876 3.65628 4.13305 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.67342 13.9882 5.61151 18.2213 9.77774 6.42723 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 numMergedOcc 0
17 mol 85 unq 9 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 numMergedOcc 0
18 mol 85 unq 10 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 numMergedOcc 0
19 mol 85 unq 11 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 numMergedOcc 0
20 mol 85 unq 12 iso 0 dist 5.73739 10.1326 5.61151 9.36582 4.29937 7.2898 numMergedOcc 0
21 mol 85 unq 13 iso 0 dist 5.73739 10.1326 5.61151 8.8983 3.65628 4.13305 numMergedOcc 0
22 mol 85 unq 14 iso 0 dist 5.73739 10.1326 5.61151 11.1809 9.77774 6.42723 numMergedOcc 0
23 mol 85 unq 15 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 numMergedOcc 0
24 mol 85 unq 16 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 numMergedOcc 0
25 mol 85 unq 17 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 numMergedOcc 0
26 mol 85 unq 18 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 numMergedOcc 0
27 mol 85 unq 19 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 numMergedOcc 0
28 mol 85 unq 20 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 numMergedOcc 0
29 mol 85 unq 21 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 numMergedOcc 0
30 mol 85 unq 22 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 numMergedOcc 0
31 mol 85 unq 23 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 4.36944 4.82789 7.46819 6.40382 7.14813 9.29837 numMergedOcc 0
33 mol 101 unq 0 iso 0 dist 7.33426 4.09052 8.35515 9.92742 9.33112 9.00107 numMergedOcc 0
34 mol 101 unq 1 iso 0 dist 8.17175 10.95 8.35515 3.73374 9.33112 9.00107 numMergedOcc 0
35 mol 142 unq 0 iso 0 dist 6.81144 4.76541 5.69323 4.65943 5.42679 5.26247 numMergedOcc 0
36 mol 193 unq 0 iso 0 dist 9.00084 5.12102 6.21648 6.90307 6.94187 5.4245 numMergedOcc 0
37 mol 193 unq 1 iso 0 dist 9.50113 11.453 6.21648 7.03555 6.94187 5.4245 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 4.93303 7.98763 9.81165 3.73699 7.88986 10.9008 numMergedOcc 0
39 mol 228 unq 0 iso 0 dist 9.45974 10.7923 8.29523 4.6339 8.92379 6.68878 numMergedOcc 0
40 mol 228 unq 1 iso 0 dist 9.86348 10.784 8.13557 4.61961 9.06403 6.64821 numMergedOcc 0
41 mol 251 unq 0 iso 0 dist 7.90148 6.05393 9.55854 4.66259 7.72528 10.449 numMergedOcc 0
42 mol 251 unq 1 iso 0 dist 9.49019 6.41908 9.55854 14.1642 7.72528 10.449 numMergedOcc 0
43 mol 254 unq 0 iso 0 dist 9.83135 9.57602 6.59989 7.03003 5.6417 5.91806 numMergedOcc 0
44 mol 254 unq 1 iso 0 dist 9.83135 9.57602 6.59989 9.54026 7.42831 5.04088 numMergedOcc 0
45 mol 260 unq 0 iso 0 dist 4.76164 9.42262 8.8385 14.0954 9.73217 12.2431 numMergedOcc 0
46 mol 260 unq 1 iso 0 dist 4.76164 9.42262 8.8385 4.58993 7.49606 12.1038 numMergedOcc 0
47 mol 260 unq 2 iso 0 dist 4.76164 9.42262 8.8385 3.69763 8.06377 9.42988 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 7.74133 4.5986 9.6721 15.5262 8.20376 17.5987 numMergedOcc 0
49 mol 287 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 numMergedOcc 0
50 mol 287 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 numMergedOcc 0
51 mol 287 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 numMergedOcc 0
53 mol 288 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 numMergedOcc 0
54 mol 288 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 numMergedOcc 0
55 mol 289 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 numMergedOcc 0
56 mol 289 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 numMergedOcc 0
57 mol 289 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 numMergedOcc 0
