0 mol 19 unq 0 iso 0 dist 8.19695 7.02548 6.60936 7.40236 3.73148 6.08459 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.02548 8.19695 6.60936 7.40236 6.08459 3.73148 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.85134 5.82366 10.4685 6.38574 6.59113 5.31883 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 5.82366 9.85134 10.4685 6.38574 5.31883 6.59113 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.33027 7.32707 6.47508 9.26362 9.87332 3.9873 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 7.32707 9.33027 6.47508 9.26362 3.9873 9.87332 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.33027 7.32707 6.47508 7.05327 6.35031 5.50427 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 7.32707 9.33027 6.47508 7.05327 5.50427 6.35031 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 9.33027 7.90574 9.35568 9.26362 9.87332 4.5357 numMergedOcc 0
9 mol 34 unq 2 iso 1 dist 7.90574 9.33027 9.35568 9.26362 4.5357 9.87332 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 9.33027 7.90574 9.35568 7.05327 6.35031 3.54863 numMergedOcc 0
11 mol 34 unq 3 iso 1 dist 7.90574 9.33027 9.35568 7.05327 3.54863 6.35031 numMergedOcc 0
12 mol 34 unq 4 iso 0 dist 8.2946 9.25346 6.47508 9.29284 6.35031 5.50427 numMergedOcc 0
13 mol 34 unq 4 iso 1 dist 9.25346 8.2946 6.47508 9.29284 5.50427 6.35031 numMergedOcc 0
14 mol 34 unq 2 iso 0 dist 7.32707 7.90574 5.79796 9.26362 3.9873 4.5357 numMergedOcc 0
15 mol 34 unq 2 iso 1 dist 7.90574 7.32707 5.79796 9.26362 4.5357 3.9873 numMergedOcc 0
16 mol 34 unq 3 iso 0 dist 7.32707 7.90574 5.79796 7.05327 5.50427 3.54863 numMergedOcc 0
17 mol 34 unq 3 iso 1 dist 7.90574 7.32707 5.79796 7.05327 3.54863 5.50427 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 7.70625 6.01423 5.69343 8.50375 5.85737 3.61653 numMergedOcc 0
19 mol 45 unq 0 iso 1 dist 6.01423 7.70625 5.69343 8.50375 3.61653 5.85737 numMergedOcc 0
20 mol 59 unq 0 iso 0 dist 9.43355 7.9327 15.8093 7.92479 3.68327 15.3578 numMergedOcc 0
21 mol 59 unq 0 iso 1 dist 7.9327 9.43355 15.8093 7.92479 15.3578 3.68327 numMergedOcc 0
22 mol 59 unq 1 iso 0 dist 9.43355 7.9327 15.8093 7.86646 9.13939 10.3023 numMergedOcc 0
23 mol 59 unq 1 iso 1 dist 7.9327 9.43355 15.8093 7.86646 10.3023 9.13939 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 7.1539 5.39745 6.34272 7.03417 9.04084 3.87825 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 5.39745 7.1539 6.34272 7.03417 3.87825 9.04084 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 9.62236 6.90634 12.1655 7.92317 9.58331 3.90693 numMergedOcc 0
27 mol 130 unq 0 iso 1 dist 6.90634 9.62236 12.1655 7.92317 3.90693 9.58331 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 4.25566 7.31037 6.33946 6.50336 3.80087 3.80763 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 7.31037 4.25566 6.33946 6.50336 3.80763 3.80087 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 5.26989 7.76442 6.55489 9.75587 10.5099 9.18464 numMergedOcc 0
31 mol 141 unq 1 iso 1 dist 7.76442 5.26989 6.55489 9.75587 9.18464 10.5099 numMergedOcc 0
32 mol 141 unq 2 iso 0 dist 8.75562 8.00449 4.27704 9.68074 8.79381 5.16197 numMergedOcc 0
33 mol 141 unq 2 iso 1 dist 8.00449 8.75562 4.27704 9.68074 5.16197 8.79381 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 7.94068 7.22019 9.00021 6.81195 6.67757 3.64991 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 7.22019 7.94068 9.00021 6.81195 3.64991 6.67757 numMergedOcc 0
36 mol 237 unq 0 iso 0 dist 5.98039 9.48932 5.62416 8.33629 4.50383 9.41259 numMergedOcc 0
37 mol 237 unq 0 iso 1 dist 9.48932 5.98039 5.62416 8.33629 9.41259 4.50383 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 8.90076 6.62002 6.25098 8.71877 13.8952 12.856 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 6.62002 8.90076 6.25098 8.71877 12.856 13.8952 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 7.02079 5.88802 11.3911 8.08777 5.88357 9.24057 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 5.88802 7.02079 11.3911 8.08777 9.24057 5.88357 numMergedOcc 0
42 mol 256 unq 0 iso 0 dist 7.48269 6.71249 6.10011 5.85613 5.59732 3.96807 numMergedOcc 0
43 mol 256 unq 0 iso 1 dist 6.71249 7.48269 6.10011 5.85613 3.96807 5.59732 numMergedOcc 0
44 mol 256 unq 1 iso 0 dist 7.48269 9.18903 12.5562 5.85613 5.59732 11.141 numMergedOcc 0
45 mol 256 unq 1 iso 1 dist 9.18903 7.48269 12.5562 5.85613 11.141 5.59732 numMergedOcc 0
46 mol 256 unq 1 iso 0 dist 6.71249 9.18903 8.13145 5.85613 3.96807 11.141 numMergedOcc 0
47 mol 256 unq 1 iso 1 dist 9.18903 6.71249 8.13145 5.85613 11.141 3.96807 numMergedOcc 0
