0 mol 13 unq 0 iso 0 dist 5.37391 4.17261 8.47514 6.68749 7.39086 5.43688 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 5.37391 6.68749 7.39086 4.17261 8.47514 5.43688 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.52295 11.8286 9.07906 12.381 8.75567 10.6953 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.52295 12.381 8.75567 11.8286 9.07906 10.6953 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.00709 10.3841 7.11686 12.947 9.43467 5.87347 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 6.00709 12.947 9.43467 10.3841 7.11686 5.87347 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.00709 10.3841 7.11686 10.3082 8.41018 10.8564 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 6.00709 10.3082 8.41018 10.3841 7.11686 10.8564 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.00709 12.947 9.43467 10.3082 8.41018 7.90262 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.00709 10.3082 8.41018 12.947 9.43467 7.90262 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.9399 4.47138 9.854 4.16095 8.23749 5.80772 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 7.9399 4.16095 8.23749 4.47138 9.854 5.80772 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 5.8457 8.81824 5.42586 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.27456 5.8457 8.81824 4.49 8.77199 5.42586 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 9.64544 9.43289 9.78235 3.97343 8.92069 7.60026 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 9.64544 3.97343 8.92069 9.43289 9.78235 7.60026 numMergedOcc 0
16 mol 110 unq 0 iso 0 dist 4.78944 3.94206 6.60331 7.58348 9.22311 7.67212 numMergedOcc 0
17 mol 110 unq 0 iso 1 dist 4.78944 7.58348 9.22311 3.94206 6.60331 7.67212 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 5.3154 6.16081 9.22558 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 6.29634 5.3154 6.16081 12.1192 8.20715 9.22558 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 9.13829 9.32263 8.5457 9.45514 6.7928 5.20645 numMergedOcc 0
21 mol 120 unq 0 iso 1 dist 9.13829 9.45514 6.7928 9.32263 8.5457 5.20645 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 9.13829 9.32263 8.5457 11.5746 7.59189 10.3759 numMergedOcc 0
23 mol 120 unq 1 iso 1 dist 9.13829 11.5746 7.59189 9.32263 8.5457 10.3759 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 9.13829 9.45514 6.7928 11.5746 7.59189 5.23943 numMergedOcc 0
25 mol 120 unq 1 iso 1 dist 9.13829 11.5746 7.59189 9.45514 6.7928 5.23943 numMergedOcc 0
26 mol 120 unq 2 iso 0 dist 5.90276 5.95039 8.5457 4.09501 6.7928 5.20645 numMergedOcc 0
27 mol 120 unq 2 iso 1 dist 5.90276 4.09501 6.7928 5.95039 8.5457 5.20645 numMergedOcc 0
28 mol 120 unq 3 iso 0 dist 5.90276 5.95039 8.5457 6.81436 7.59189 10.3759 numMergedOcc 0
29 mol 120 unq 3 iso 1 dist 5.90276 6.81436 7.59189 5.95039 8.5457 10.3759 numMergedOcc 0
30 mol 120 unq 3 iso 0 dist 5.90276 4.09501 6.7928 6.81436 7.59189 5.23943 numMergedOcc 0
31 mol 120 unq 3 iso 1 dist 5.90276 6.81436 7.59189 4.09501 6.7928 5.23943 numMergedOcc 0
32 mol 120 unq 4 iso 0 dist 8.565 14.645 8.5457 10.2082 6.7928 5.20645 numMergedOcc 0
33 mol 120 unq 4 iso 1 dist 8.565 10.2082 6.7928 14.645 8.5457 5.20645 numMergedOcc 0
34 mol 120 unq 5 iso 0 dist 8.565 14.645 8.5457 6.13307 7.59189 10.3759 numMergedOcc 0
35 mol 120 unq 5 iso 1 dist 8.565 6.13307 7.59189 14.645 8.5457 10.3759 numMergedOcc 0
36 mol 120 unq 5 iso 0 dist 8.565 10.2082 6.7928 6.13307 7.59189 5.23943 numMergedOcc 0
37 mol 120 unq 5 iso 1 dist 8.565 6.13307 7.59189 10.2082 6.7928 5.23943 numMergedOcc 0
38 mol 127 unq 0 iso 0 dist 9.91321 8.60326 8.82676 11.4002 8.17522 6.16471 numMergedOcc 0
39 mol 127 unq 0 iso 1 dist 9.91321 11.4002 8.17522 8.60326 8.82676 6.16471 numMergedOcc 0
40 mol 127 unq 1 iso 0 dist 9.91321 8.60326 8.82676 11.7596 8.14341 11.2106 numMergedOcc 0
41 mol 127 unq 1 iso 1 dist 9.91321 11.7596 8.14341 8.60326 8.82676 11.2106 numMergedOcc 0
42 mol 127 unq 2 iso 0 dist 9.91321 8.60326 8.82676 7.698 6.54744 12.2864 numMergedOcc 0
43 mol 127 unq 2 iso 1 dist 9.91321 7.698 6.54744 8.60326 8.82676 12.2864 numMergedOcc 0
44 mol 127 unq 1 iso 0 dist 9.91321 11.4002 8.17522 11.7596 8.14341 6.55997 numMergedOcc 0
45 mol 127 unq 1 iso 1 dist 9.91321 11.7596 8.14341 11.4002 8.17522 6.55997 numMergedOcc 0
46 mol 127 unq 2 iso 0 dist 9.91321 11.4002 8.17522 7.698 6.54744 12.4623 numMergedOcc 0
47 mol 127 unq 2 iso 1 dist 9.91321 7.698 6.54744 11.4002 8.17522 12.4623 numMergedOcc 0
48 mol 127 unq 2 iso 0 dist 9.91321 11.7596 8.14341 7.698 6.54744 9.8922 numMergedOcc 0
49 mol 127 unq 2 iso 1 dist 9.91321 7.698 6.54744 11.7596 8.14341 9.8922 numMergedOcc 0
50 mol 143 unq 0 iso 0 dist 9.32503 6.49108 9.3169 6.15159 5.5639 5.72828 numMergedOcc 0
51 mol 143 unq 0 iso 1 dist 9.32503 6.15159 5.5639 6.49108 9.3169 5.72828 numMergedOcc 0
52 mol 143 unq 1 iso 0 dist 8.58421 9.79072 9.3169 5.80488 5.5639 5.72828 numMergedOcc 0
53 mol 143 unq 1 iso 1 dist 8.58421 5.80488 5.5639 9.79072 9.3169 5.72828 numMergedOcc 0
54 mol 152 unq 0 iso 0 dist 9.06801 11.1874 8.86966 8.36099 5.7527 5.49936 numMergedOcc 0
55 mol 152 unq 0 iso 1 dist 9.06801 8.36099 5.7527 11.1874 8.86966 5.49936 numMergedOcc 0
56 mol 167 unq 0 iso 0 dist 6.00793 9.57777 6.85239 8.66436 5.72735 4.70068 numMergedOcc 0
57 mol 167 unq 0 iso 1 dist 6.00793 8.66436 5.72735 9.57777 6.85239 4.70068 numMergedOcc 0
58 mol 206 unq 0 iso 0 dist 6.38964 10.3584 9.62822 5.70669 7.03546 7.08941 numMergedOcc 0
59 mol 206 unq 0 iso 1 dist 6.38964 5.70669 7.03546 10.3584 9.62822 7.08941 numMergedOcc 0
60 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 4.36122 5.75017 7.02195 numMergedOcc 0
61 mol 219 unq 0 iso 1 dist 8.15287 4.36122 5.75017 5.0241 7.68645 7.02195 numMergedOcc 0
62 mol 219 unq 1 iso 0 dist 8.15287 5.0241 7.68645 14.0703 6.12768 13.4387 numMergedOcc 0
63 mol 219 unq 1 iso 1 dist 8.15287 14.0703 6.12768 5.0241 7.68645 13.4387 numMergedOcc 0
64 mol 219 unq 2 iso 0 dist 8.15287 5.0241 7.68645 13.25 7.19159 10.8119 numMergedOcc 0
65 mol 219 unq 2 iso 1 dist 8.15287 13.25 7.19159 5.0241 7.68645 10.8119 numMergedOcc 0
66 mol 219 unq 1 iso 0 dist 8.15287 4.36122 5.75017 14.0703 6.12768 10.7348 numMergedOcc 0
67 mol 219 unq 1 iso 1 dist 8.15287 14.0703 6.12768 4.36122 5.75017 10.7348 numMergedOcc 0
68 mol 219 unq 2 iso 0 dist 8.15287 4.36122 5.75017 13.25 7.19159 10.6748 numMergedOcc 0
69 mol 219 unq 2 iso 1 dist 8.15287 13.25 7.19159 4.36122 5.75017 10.6748 numMergedOcc 0
70 mol 219 unq 2 iso 0 dist 8.15287 14.0703 6.12768 13.25 7.19159 6.74494 numMergedOcc 0
71 mol 219 unq 2 iso 1 dist 8.15287 13.25 7.19159 14.0703 6.12768 6.74494 numMergedOcc 0
72 mol 219 unq 3 iso 0 dist 8.72341 14.1934 7.68645 13.288 5.75017 7.02195 numMergedOcc 0
73 mol 219 unq 3 iso 1 dist 8.72341 13.288 5.75017 14.1934 7.68645 7.02195 numMergedOcc 0
74 mol 219 unq 4 iso 0 dist 8.72341 14.1934 7.68645 4.95329 6.12768 13.4387 numMergedOcc 0
75 mol 219 unq 4 iso 1 dist 8.72341 4.95329 6.12768 14.1934 7.68645 13.4387 numMergedOcc 0
76 mol 219 unq 5 iso 0 dist 8.72341 14.1934 7.68645 4.26247 7.19159 10.8119 numMergedOcc 0
77 mol 219 unq 5 iso 1 dist 8.72341 4.26247 7.19159 14.1934 7.68645 10.8119 numMergedOcc 0
78 mol 219 unq 4 iso 0 dist 8.72341 13.288 5.75017 4.95329 6.12768 10.7348 numMergedOcc 0
79 mol 219 unq 4 iso 1 dist 8.72341 4.95329 6.12768 13.288 5.75017 10.7348 numMergedOcc 0
80 mol 219 unq 5 iso 0 dist 8.72341 13.288 5.75017 4.26247 7.19159 10.6748 numMergedOcc 0
81 mol 219 unq 5 iso 1 dist 8.72341 4.26247 7.19159 13.288 5.75017 10.6748 numMergedOcc 0
82 mol 219 unq 5 iso 0 dist 8.72341 4.95329 6.12768 4.26247 7.19159 6.74494 numMergedOcc 0
83 mol 219 unq 5 iso 1 dist 8.72341 4.26247 7.19159 4.95329 6.12768 6.74494 numMergedOcc 0
