0 mol 16 unq 0 iso 0 dist 6.84569 5.66529 6.58035 6.32814 8.41862 10.9633 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.84569 6.32814 8.41862 5.66529 6.58035 10.9633 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.45639 6.82829 7.33969 8.83903 7.45237 4.85203 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 9.45639 8.83903 7.45237 6.82829 7.33969 4.85203 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 5.00126 6.37567 7.33969 5.92759 7.45237 4.85203 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 5.00126 5.92759 7.45237 6.37567 7.33969 4.85203 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.37094 13.9612 7.04352 4.64762 8.1114 14.4772 numMergedOcc 0
7 mol 69 unq 0 iso 1 dist 9.37094 4.64762 8.1114 13.9612 7.04352 14.4772 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 14.7467 9.93423 4.25121 numMergedOcc 0
9 mol 70 unq 0 iso 1 dist 7.63663 14.7467 9.93423 14.4842 7.92394 4.25121 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 7.63663 14.4842 7.92394 5.93792 9.34122 13.6636 numMergedOcc 0
11 mol 70 unq 1 iso 1 dist 7.63663 5.93792 9.34122 14.4842 7.92394 13.6636 numMergedOcc 0
12 mol 70 unq 1 iso 0 dist 7.63663 14.7467 9.93423 5.93792 9.34122 12.434 numMergedOcc 0
13 mol 70 unq 1 iso 1 dist 7.63663 5.93792 9.34122 14.7467 9.93423 12.434 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 5.56964 11.2136 8.97793 7.5192 8.19682 5.67347 numMergedOcc 0
15 mol 76 unq 0 iso 1 dist 5.56964 7.5192 8.19682 11.2136 8.97793 5.67347 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 11.6637 7.64585 12.0796 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 8.97043 11.6637 7.64585 7.266 9.66954 12.0796 numMergedOcc 0
18 mol 124 unq 0 iso 0 dist 6.35314 9.93612 6.83051 9.06209 9.28376 4.81682 numMergedOcc 0
19 mol 124 unq 0 iso 1 dist 6.35314 9.06209 9.28376 9.93612 6.83051 4.81682 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 9.03202 9.51418 10.2027 numMergedOcc 0
21 mol 131 unq 0 iso 1 dist 8.99949 9.03202 9.51418 9.45501 6.91348 10.2027 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 5.68636 7.441 9.38946 6.79302 7.36102 5.68272 numMergedOcc 0
23 mol 155 unq 0 iso 1 dist 5.68636 6.79302 7.36102 7.441 9.38946 5.68272 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 6.91511 6.77578 5.42587 numMergedOcc 0
25 mol 195 unq 0 iso 1 dist 8.3705 6.91511 6.77578 12.124 8.36117 5.42587 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 7.75394 6.06154 7.90031 4.83589 7.21533 5.17341 numMergedOcc 0
27 mol 198 unq 0 iso 1 dist 7.75394 4.83589 7.21533 6.06154 7.90031 5.17341 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 8.2088 5.22669 9.50586 7.85937 7.13323 4.63933 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 8.2088 7.85937 7.13323 5.22669 9.50586 4.63933 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.21273 5.33649 6.84247 12.5011 6.99002 11.5311 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 6.21273 12.5011 6.99002 5.33649 6.84247 11.5311 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.96639 12.8735 9.68513 10.761 5.9216 4.83721 numMergedOcc 0
33 mol 238 unq 0 iso 1 dist 8.96639 10.761 5.9216 12.8735 9.68513 4.83721 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 7.64276 13.9044 6.55759 13.3748 7.02475 6.44245 numMergedOcc 0
35 mol 238 unq 1 iso 1 dist 7.64276 13.3748 7.02475 13.9044 6.55759 6.44245 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 7.64276 13.9044 6.55759 11.6924 7.67322 10.677 numMergedOcc 0
37 mol 238 unq 2 iso 1 dist 7.64276 11.6924 7.67322 13.9044 6.55759 10.677 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 7.64276 13.9044 6.55759 5.61491 7.19008 12.1411 numMergedOcc 0
39 mol 238 unq 3 iso 1 dist 7.64276 5.61491 7.19008 13.9044 6.55759 12.1411 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.64276 13.3748 7.02475 11.6924 7.67322 5.44694 numMergedOcc 0
41 mol 238 unq 2 iso 1 dist 7.64276 11.6924 7.67322 13.3748 7.02475 5.44694 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 7.64276 13.3748 7.02475 5.61491 7.19008 10.1756 numMergedOcc 0
43 mol 238 unq 3 iso 1 dist 7.64276 5.61491 7.19008 13.3748 7.02475 10.1756 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 7.64276 11.6924 7.67322 5.61491 7.19008 9.50847 numMergedOcc 0
45 mol 238 unq 3 iso 1 dist 7.64276 5.61491 7.19008 11.6924 7.67322 9.50847 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 5.59975 8.0951 11.0721 numMergedOcc 0
47 mol 240 unq 0 iso 1 dist 9.68888 5.59975 8.0951 13.7594 6.15305 11.0721 numMergedOcc 0
48 mol 272 unq 0 iso 0 dist 7.31993 13.7563 9.09992 5.91451 6.16449 9.75529 numMergedOcc 0
49 mol 272 unq 0 iso 1 dist 7.31993 5.91451 6.16449 13.7563 9.09992 9.75529 numMergedOcc 0
