0 mol 24 unq 0 iso 0 dist 8.62284 6.72423 9.41655 4.0664 6.803 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.62284 4.0664 6.803 6.72423 9.41655 4.10458 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.58568 4.10948 7.78893 8.812 5.85146 9.19346 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 8.58568 8.812 5.85146 4.10948 7.78893 9.19346 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.93364 3.8237 9.31883 6.07532 9.475 3.56021 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 6.93364 6.07532 9.475 3.8237 9.31883 3.56021 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 6.93364 3.8237 9.31883 4.47743 8.34011 5.8452 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 6.93364 4.47743 8.34011 3.8237 9.31883 5.8452 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 6.93364 3.8237 9.31883 11.418 6.29842 14.6218 numMergedOcc 0
9 mol 34 unq 2 iso 1 dist 6.93364 11.418 6.29842 3.8237 9.31883 14.6218 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 6.93364 6.07532 9.475 4.47743 8.34011 5.86087 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 6.93364 4.47743 8.34011 6.07532 9.475 5.86087 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 6.93364 6.07532 9.475 11.418 6.29842 14.7594 numMergedOcc 0
13 mol 34 unq 2 iso 1 dist 6.93364 11.418 6.29842 6.07532 9.475 14.7594 numMergedOcc 0
14 mol 34 unq 2 iso 0 dist 6.93364 4.47743 8.34011 11.418 6.29842 11.4891 numMergedOcc 0
15 mol 34 unq 2 iso 1 dist 6.93364 11.418 6.29842 4.47743 8.34011 11.4891 numMergedOcc 0
16 mol 34 unq 3 iso 0 dist 6.34821 4.97937 9.31883 3.68737 9.475 3.56021 numMergedOcc 0
17 mol 34 unq 3 iso 1 dist 6.34821 3.68737 9.475 4.97937 9.31883 3.56021 numMergedOcc 0
18 mol 34 unq 4 iso 0 dist 6.34821 4.97937 9.31883 3.93021 8.34011 5.8452 numMergedOcc 0
19 mol 34 unq 4 iso 1 dist 6.34821 3.93021 8.34011 4.97937 9.31883 5.8452 numMergedOcc 0
20 mol 34 unq 5 iso 0 dist 6.34821 4.97937 9.31883 11.1366 6.29842 14.6218 numMergedOcc 0
21 mol 34 unq 5 iso 1 dist 6.34821 11.1366 6.29842 4.97937 9.31883 14.6218 numMergedOcc 0
22 mol 34 unq 4 iso 0 dist 6.34821 3.68737 9.475 3.93021 8.34011 5.86087 numMergedOcc 0
23 mol 34 unq 4 iso 1 dist 6.34821 3.93021 8.34011 3.68737 9.475 5.86087 numMergedOcc 0
24 mol 34 unq 5 iso 0 dist 6.34821 3.68737 9.475 11.1366 6.29842 14.7594 numMergedOcc 0
25 mol 34 unq 5 iso 1 dist 6.34821 11.1366 6.29842 3.68737 9.475 14.7594 numMergedOcc 0
26 mol 34 unq 5 iso 0 dist 6.34821 3.93021 8.34011 11.1366 6.29842 11.4891 numMergedOcc 0
27 mol 34 unq 5 iso 1 dist 6.34821 11.1366 6.29842 3.93021 8.34011 11.4891 numMergedOcc 0
28 mol 39 unq 0 iso 0 dist 8.19733 11.2159 8.55553 8.56189 5.00813 7.67651 numMergedOcc 0
29 mol 39 unq 0 iso 1 dist 8.19733 8.56189 5.00813 11.2159 8.55553 7.67651 numMergedOcc 0
30 mol 39 unq 1 iso 0 dist 8.57165 11.4688 8.55553 7.29013 5.00813 7.67651 numMergedOcc 0
31 mol 39 unq 1 iso 1 dist 8.57165 7.29013 5.00813 11.4688 8.55553 7.67651 numMergedOcc 0
32 mol 111 unq 0 iso 0 dist 7.92876 6.10261 4.72339 4.42903 6.48902 6.94371 numMergedOcc 0
33 mol 111 unq 0 iso 1 dist 7.92876 4.42903 6.48902 6.10261 4.72339 6.94371 numMergedOcc 0
34 mol 111 unq 1 iso 0 dist 7.92876 6.10261 4.72339 13.0195 7.21505 8.72808 numMergedOcc 0
35 mol 111 unq 1 iso 1 dist 7.92876 13.0195 7.21505 6.10261 4.72339 8.72808 numMergedOcc 0
36 mol 111 unq 1 iso 0 dist 7.92876 4.42903 6.48902 13.0195 7.21505 10.4972 numMergedOcc 0
37 mol 111 unq 1 iso 1 dist 7.92876 13.0195 7.21505 4.42903 6.48902 10.4972 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 5.1101 7.97454 7.19893 3.547 6.37938 5.61172 numMergedOcc 0
39 mol 147 unq 0 iso 1 dist 5.1101 3.547 6.37938 7.97454 7.19893 5.61172 numMergedOcc 0
40 mol 147 unq 1 iso 0 dist 7.01133 13.3536 7.19893 9.88741 6.37938 5.61172 numMergedOcc 0
41 mol 147 unq 1 iso 1 dist 7.01133 9.88741 6.37938 13.3536 7.19893 5.61172 numMergedOcc 0
42 mol 182 unq 0 iso 0 dist 8.89822 15.2041 8.62437 9.61248 7.07405 6.78442 numMergedOcc 0
43 mol 182 unq 0 iso 1 dist 8.89822 9.61248 7.07405 15.2041 8.62437 6.78442 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 6.86795 4.24855 8.98941 5.31276 6.45381 6.94905 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 6.86795 5.31276 6.45381 4.24855 8.98941 6.94905 numMergedOcc 0
46 mol 218 unq 1 iso 0 dist 6.23898 4.24855 5.4621 5.31276 8.91819 6.94905 numMergedOcc 0
47 mol 218 unq 1 iso 1 dist 6.23898 5.31276 8.91819 4.24855 5.4621 6.94905 numMergedOcc 0
48 mol 218 unq 2 iso 0 dist 6.61099 10.7049 8.98941 4.36581 6.45381 6.94905 numMergedOcc 0
49 mol 218 unq 2 iso 1 dist 6.61099 4.36581 6.45381 10.7049 8.98941 6.94905 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 8.85215 4.47722 7.83105 9.50055 5.63025 9.60716 numMergedOcc 0
51 mol 230 unq 0 iso 1 dist 8.85215 9.50055 5.63025 4.47722 7.83105 9.60716 numMergedOcc 0
52 mol 237 unq 0 iso 0 dist 7.33613 5.11578 8.96803 13.2415 7.95072 16.0493 numMergedOcc 0
53 mol 237 unq 0 iso 1 dist 7.33613 13.2415 7.95072 5.11578 8.96803 16.0493 numMergedOcc 0
54 mol 250 unq 0 iso 0 dist 8.70484 12.1963 7.5999 7.38134 9.50976 8.07034 numMergedOcc 0
55 mol 250 unq 0 iso 1 dist 8.70484 7.38134 9.50976 12.1963 7.5999 8.07034 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 5.2361 14.0295 9.76731 10.3309 8.38599 6.82915 numMergedOcc 0
57 mol 252 unq 0 iso 1 dist 5.2361 10.3309 8.38599 14.0295 9.76731 6.82915 numMergedOcc 0
58 mol 252 unq 1 iso 0 dist 5.57515 7.41325 9.76731 7.40276 8.38599 6.82915 numMergedOcc 0
59 mol 252 unq 1 iso 1 dist 5.57515 7.40276 8.38599 7.41325 9.76731 6.82915 numMergedOcc 0
60 mol 252 unq 2 iso 0 dist 8.28694 6.68865 9.76731 3.93498 8.38599 6.82915 numMergedOcc 0
61 mol 252 unq 2 iso 1 dist 8.28694 3.93498 8.38599 6.68865 9.76731 6.82915 numMergedOcc 0
62 mol 255 unq 0 iso 0 dist 6.6475 12.3928 8.56885 5.02523 5.54361 9.13933 numMergedOcc 0
63 mol 255 unq 0 iso 1 dist 6.6475 5.02523 5.54361 12.3928 8.56885 9.13933 numMergedOcc 0
64 mol 255 unq 1 iso 0 dist 6.6475 12.3928 8.56885 6.71212 7.73503 16.0238 numMergedOcc 0
65 mol 255 unq 1 iso 1 dist 6.6475 6.71212 7.73503 12.3928 8.56885 16.0238 numMergedOcc 0
66 mol 255 unq 1 iso 0 dist 6.6475 5.02523 5.54361 6.71212 7.73503 8.80381 numMergedOcc 0
67 mol 255 unq 1 iso 1 dist 6.6475 6.71212 7.73503 5.02523 5.54361 8.80381 numMergedOcc 0
