0 mol 17 unq 0 iso 0 dist 9.877 8.91991 5.16502 9.59996 8.26398 6.66983 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.877 9.59996 8.26398 8.91991 5.16502 6.66983 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.80193 9.4067 5.59658 9.14029 7.94376 4.97344 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 8.80193 9.14029 7.94376 9.4067 5.59658 4.97344 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.33027 3.85603 8.0991 7.03719 9.95093 4.74094 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 9.33027 7.03719 9.95093 3.85603 8.0991 4.74094 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 8.2946 4.42374 8.0991 3.69607 9.95093 4.74094 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 8.2946 3.69607 9.95093 4.42374 8.0991 4.74094 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.34031 7.13338 6.28603 8.64653 8.80303 3.86264 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 7.34031 8.64653 8.80303 7.13338 6.28603 3.86264 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.34031 7.13338 6.28603 4.28224 7.11491 8.66712 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 7.34031 4.28224 7.11491 7.13338 6.28603 8.66712 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.34031 8.64653 8.80303 4.28224 7.11491 9.07711 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 7.34031 4.28224 7.11491 8.64653 8.80303 9.07711 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 8.58829 12.2529 8.56365 5.98272 7.47783 9.94041 numMergedOcc 0
15 mol 48 unq 2 iso 1 dist 8.58829 5.98272 7.47783 12.2529 8.56365 9.94041 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 8.58829 12.2529 8.56365 7.83821 8.74151 5.553 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 8.58829 7.83821 8.74151 12.2529 8.56365 5.553 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 8.58829 12.2529 8.56365 5.51708 8.69662 8.14415 numMergedOcc 0
19 mol 48 unq 4 iso 1 dist 8.58829 5.51708 8.69662 12.2529 8.56365 8.14415 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 8.58829 5.98272 7.47783 7.83821 8.74151 6.96103 numMergedOcc 0
21 mol 48 unq 3 iso 1 dist 8.58829 7.83821 8.74151 5.98272 7.47783 6.96103 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 8.58829 5.98272 7.47783 5.51708 8.69662 4.54874 numMergedOcc 0
23 mol 48 unq 4 iso 1 dist 8.58829 5.51708 8.69662 5.98272 7.47783 4.54874 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 8.58829 7.83821 8.74151 5.51708 8.69662 3.18526 numMergedOcc 0
25 mol 48 unq 4 iso 1 dist 8.58829 5.51708 8.69662 7.83821 8.74151 3.18526 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 7.281 7.08546 5.73454 8.61607 8.2012 3.69391 numMergedOcc 0
27 mol 48 unq 5 iso 1 dist 7.281 8.61607 8.2012 7.08546 5.73454 3.69391 numMergedOcc 0
28 mol 48 unq 6 iso 0 dist 7.281 7.08546 5.73454 4.12075 7.1829 8.61401 numMergedOcc 0
29 mol 48 unq 6 iso 1 dist 7.281 4.12075 7.1829 7.08546 5.73454 8.61401 numMergedOcc 0
30 mol 48 unq 6 iso 0 dist 7.281 8.61607 8.2012 4.12075 7.1829 9.16142 numMergedOcc 0
31 mol 48 unq 6 iso 1 dist 7.281 4.12075 7.1829 8.61607 8.2012 9.16142 numMergedOcc 0
32 mol 79 unq 0 iso 0 dist 9.63599 12.7451 7.56495 13.0682 7.63923 5.30569 numMergedOcc 0
33 mol 79 unq 0 iso 1 dist 9.63599 13.0682 7.63923 12.7451 7.56495 5.30569 numMergedOcc 0
34 mol 79 unq 1 iso 0 dist 9.63599 12.7451 7.56495 6.2688 8.23095 7.28768 numMergedOcc 0
35 mol 79 unq 1 iso 1 dist 9.63599 6.2688 8.23095 12.7451 7.56495 7.28768 numMergedOcc 0
36 mol 79 unq 1 iso 0 dist 9.63599 13.0682 7.63923 6.2688 8.23095 8.91283 numMergedOcc 0
37 mol 79 unq 1 iso 1 dist 9.63599 6.2688 8.23095 13.0682 7.63923 8.91283 numMergedOcc 0
38 mol 79 unq 2 iso 0 dist 7.87237 8.42733 8.33791 4.89844 7.38548 5.63083 numMergedOcc 0
39 mol 79 unq 2 iso 1 dist 7.87237 4.89844 7.38548 8.42733 8.33791 5.63083 numMergedOcc 0
40 mol 79 unq 3 iso 0 dist 7.87237 8.42733 8.33791 6.58977 8.2992 7.01314 numMergedOcc 0
41 mol 79 unq 3 iso 1 dist 7.87237 6.58977 8.2992 8.42733 8.33791 7.01314 numMergedOcc 0
42 mol 79 unq 4 iso 0 dist 7.87237 8.42733 8.33791 4.35906 6.72546 11.179 numMergedOcc 0
43 mol 79 unq 4 iso 1 dist 7.87237 4.35906 6.72546 8.42733 8.33791 11.179 numMergedOcc 0
44 mol 79 unq 3 iso 0 dist 7.87237 4.89844 7.38548 6.58977 8.2992 8.44801 numMergedOcc 0
45 mol 79 unq 3 iso 1 dist 7.87237 6.58977 8.2992 4.89844 7.38548 8.44801 numMergedOcc 0
46 mol 79 unq 4 iso 0 dist 7.87237 4.89844 7.38548 4.35906 6.72546 7.13643 numMergedOcc 0
47 mol 79 unq 4 iso 1 dist 7.87237 4.35906 6.72546 4.89844 7.38548 7.13643 numMergedOcc 0
48 mol 79 unq 4 iso 0 dist 7.87237 6.58977 8.2992 4.35906 6.72546 9.19853 numMergedOcc 0
49 mol 79 unq 4 iso 1 dist 7.87237 4.35906 6.72546 6.58977 8.2992 9.19853 numMergedOcc 0
50 mol 79 unq 5 iso 0 dist 8.01743 7.82927 7.56495 5.01567 7.63923 5.30569 numMergedOcc 0
51 mol 79 unq 5 iso 1 dist 8.01743 5.01567 7.63923 7.82927 7.56495 5.30569 numMergedOcc 0
52 mol 79 unq 6 iso 0 dist 8.01743 7.82927 7.56495 6.34664 8.23095 7.28768 numMergedOcc 0
53 mol 79 unq 6 iso 1 dist 8.01743 6.34664 8.23095 7.82927 7.56495 7.28768 numMergedOcc 0
54 mol 79 unq 6 iso 0 dist 8.01743 5.01567 7.63923 6.34664 8.23095 8.91283 numMergedOcc 0
55 mol 79 unq 6 iso 1 dist 8.01743 6.34664 8.23095 5.01567 7.63923 8.91283 numMergedOcc 0
56 mol 85 unq 0 iso 0 dist 6.05495 10.803 8.04853 7.59464 6.46549 8.06192 numMergedOcc 0
57 mol 85 unq 0 iso 1 dist 6.05495 7.59464 6.46549 10.803 8.04853 8.06192 numMergedOcc 0
58 mol 135 unq 0 iso 0 dist 9.15377 5.16099 8.72359 12.1938 7.02963 14.3156 numMergedOcc 0
59 mol 135 unq 0 iso 1 dist 9.15377 12.1938 7.02963 5.16099 8.72359 14.3156 numMergedOcc 0
60 mol 141 unq 0 iso 0 dist 7.31037 8.16657 8.40695 11.0792 9.35867 5.71798 numMergedOcc 0
61 mol 141 unq 0 iso 1 dist 7.31037 11.0792 9.35867 8.16657 8.40695 5.71798 numMergedOcc 0
62 mol 148 unq 0 iso 0 dist 8.73468 10.8312 9.17462 4.43652 8.74878 10.1972 numMergedOcc 0
63 mol 148 unq 0 iso 1 dist 8.73468 4.43652 8.74878 10.8312 9.17462 10.1972 numMergedOcc 0
64 mol 150 unq 0 iso 0 dist 8.73558 10.8596 9.01668 4.48089 8.74018 10.2556 numMergedOcc 0
65 mol 150 unq 0 iso 1 dist 8.73558 4.48089 8.74018 10.8596 9.01668 10.2556 numMergedOcc 0
66 mol 168 unq 0 iso 0 dist 7.60254 7.8982 6.12453 6.7031 9.87447 5.29906 numMergedOcc 0
67 mol 168 unq 0 iso 1 dist 7.60254 6.7031 9.87447 7.8982 6.12453 5.29906 numMergedOcc 0
68 mol 184 unq 0 iso 0 dist 9.75763 11.5516 9.62748 9.74321 5.12964 8.05894 numMergedOcc 0
69 mol 184 unq 0 iso 1 dist 9.75763 9.74321 5.12964 11.5516 9.62748 8.05894 numMergedOcc 0
70 mol 184 unq 1 iso 0 dist 7.0685 3.67094 9.62748 5.06572 5.12964 8.05894 numMergedOcc 0
71 mol 184 unq 1 iso 1 dist 7.0685 5.06572 5.12964 3.67094 9.62748 8.05894 numMergedOcc 0
72 mol 184 unq 2 iso 0 dist 6.44904 11.1303 9.62748 3.88336 5.12964 8.05894 numMergedOcc 0
73 mol 184 unq 2 iso 1 dist 6.44904 3.88336 5.12964 11.1303 9.62748 8.05894 numMergedOcc 0
74 mol 214 unq 0 iso 0 dist 7.69296 3.92649 5.05626 11.4548 8.41013 10.5332 numMergedOcc 0
75 mol 214 unq 0 iso 1 dist 7.69296 11.4548 8.41013 3.92649 5.05626 10.5332 numMergedOcc 0
76 mol 253 unq 0 iso 0 dist 9.58354 14.6606 9.82605 15.2949 9.73723 5.00013 numMergedOcc 0
77 mol 253 unq 0 iso 1 dist 9.58354 15.2949 9.73723 14.6606 9.82605 5.00013 numMergedOcc 0
