0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 7.39982 9.68596 9.0379 6.11915 6.14469 8.43473 5.03847 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.02892 7.39982 9.68596 5.38502 6.7985 9.0379 6.11915 6.14469 5.03847 8.43473 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 5.0289 7.23884 7.51619 11.3708 7.14031 11.3905 14.2646 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 4.94406 5.0289 7.23884 6.83826 5.78706 7.51619 11.3708 7.14031 14.2646 11.3905 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.94406 6.83826 5.78706 9.94628 5.59328 10.6225 11.3708 7.14031 11.3905 4.67519 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 6.83826 5.78706 10.6225 11.3708 7.14031 4.67519 11.3905 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 4.94406 6.83826 5.78706 7.53156 7.5242 12.7411 11.3708 7.14031 11.3905 10.4027 numMergedOcc 0
7 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 6.83826 5.78706 12.7411 11.3708 7.14031 10.4027 11.3905 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 9.94628 5.59328 11.4338 11.3708 7.14031 14.2646 4.67519 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 5.0289 7.23884 11.4338 11.3708 7.14031 4.67519 14.2646 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.94406 5.0289 7.23884 7.53156 7.5242 9.30161 11.3708 7.14031 14.2646 10.4027 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 5.0289 7.23884 9.30161 11.3708 7.14031 10.4027 14.2646 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 7.53156 7.5242 7.72877 11.3708 7.14031 4.67519 10.4027 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 9.94628 5.59328 7.72877 11.3708 7.14031 10.4027 4.67519 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.2337 9.30656 5.78706 12.1337 7.23884 7.51619 7.43547 7.14031 11.3905 14.2646 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 7.2337 12.1337 7.23884 9.30656 5.78706 7.51619 7.43547 7.14031 14.2646 11.3905 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 5.39087 5.59328 10.6225 7.43547 7.14031 11.3905 4.67519 numMergedOcc 0
17 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 9.30656 5.78706 10.6225 7.43547 7.14031 4.67519 11.3905 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 7.2337 9.30656 5.78706 12.2431 7.5242 12.7411 7.43547 7.14031 11.3905 10.4027 numMergedOcc 0
19 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 9.30656 5.78706 12.7411 7.43547 7.14031 10.4027 11.3905 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 7.2337 12.1337 7.23884 5.39087 5.59328 11.4338 7.43547 7.14031 14.2646 4.67519 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 12.1337 7.23884 11.4338 7.43547 7.14031 4.67519 14.2646 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 12.2431 7.5242 9.30161 7.43547 7.14031 14.2646 10.4027 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 12.1337 7.23884 9.30161 7.43547 7.14031 10.4027 14.2646 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 7.2337 5.39087 5.59328 12.2431 7.5242 7.72877 7.43547 7.14031 4.67519 10.4027 numMergedOcc 0
25 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 5.39087 5.59328 7.72877 7.43547 7.14031 10.4027 4.67519 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 10.9755 7.10378 10.8586 12.6358 9.5057 5.42531 8.4128 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 9.1593 10.9755 7.10378 12.3004 7.80975 10.8586 12.6358 9.5057 8.4128 5.42531 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.1593 12.3004 7.80975 10.9755 7.10378 10.8586 7.74959 5.75014 4.86592 7.96533 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 9.1593 10.9755 7.10378 12.3004 7.80975 10.8586 7.74959 5.75014 7.96533 4.86592 numMergedOcc 0
30 mol 125 unq 0 iso 0 dist 9.2657 9.67381 9.08382 9.19339 9.3778 5.20403 12.5885 6.33431 6.40824 9.20086 numMergedOcc 0
31 mol 125 unq 0 iso 1 dist 9.2657 9.19339 9.3778 9.67381 9.08382 5.20403 12.5885 6.33431 9.20086 6.40824 numMergedOcc 0
32 mol 125 unq 1 iso 0 dist 9.2657 9.67381 9.08382 6.92879 7.47069 9.34412 12.5885 6.33431 6.40824 9.44075 numMergedOcc 0
33 mol 125 unq 1 iso 1 dist 9.2657 6.92879 7.47069 9.67381 9.08382 9.34412 12.5885 6.33431 9.44075 6.40824 numMergedOcc 0
34 mol 125 unq 1 iso 0 dist 9.2657 9.19339 9.3778 6.92879 7.47069 11.8325 12.5885 6.33431 9.20086 9.44075 numMergedOcc 0
35 mol 125 unq 1 iso 1 dist 9.2657 6.92879 7.47069 9.19339 9.3778 11.8325 12.5885 6.33431 9.44075 9.20086 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 15.1845 9.70413 11.4307 7.20376 9.10042 9.74444 10.3716 numMergedOcc 0
37 mol 141 unq 0 iso 1 dist 8.35864 15.1845 9.70413 10.4653 9.97343 11.4307 7.20376 9.10042 10.3716 9.74444 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 8.35864 10.4653 9.97343 15.1845 9.70413 11.4307 10.1764 9.75059 6.91919 7.87881 numMergedOcc 0
39 mol 141 unq 1 iso 1 dist 8.35864 15.1845 9.70413 10.4653 9.97343 11.4307 10.1764 9.75059 7.87881 6.91919 numMergedOcc 0
40 mol 141 unq 2 iso 0 dist 8.35864 10.4653 9.97343 15.1845 9.70413 11.4307 14.3045 6.83404 10.1432 7.27731 numMergedOcc 0
41 mol 141 unq 2 iso 1 dist 8.35864 15.1845 9.70413 10.4653 9.97343 11.4307 14.3045 6.83404 7.27731 10.1432 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 9.6281 5.0966 9.44367 5.75141 7.90267 5.56175 9.69888 8.37434 5.71511 6.13574 numMergedOcc 0
43 mol 156 unq 0 iso 1 dist 9.6281 5.75141 7.90267 5.0966 9.44367 5.56175 9.69888 8.37434 6.13574 5.71511 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 6.22667 9.07974 9.44367 5.70205 7.90267 5.56175 5.36066 8.37434 5.71511 6.13574 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 6.22667 5.70205 7.90267 9.07974 9.44367 5.56175 5.36066 8.37434 6.13574 5.71511 numMergedOcc 0
46 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 14.9157 6.86319 10.2747 8.3459 7.21349 4.54749 10.645 numMergedOcc 0
47 mol 196 unq 0 iso 1 dist 9.47404 14.9157 6.86319 5.61672 6.70531 10.2747 8.3459 7.21349 10.645 4.54749 numMergedOcc 0
48 mol 226 unq 0 iso 0 dist 9.61639 9.11816 8.80683 6.92489 6.11704 5.16662 13.4246 5.70795 7.92585 7.554 numMergedOcc 0
49 mol 226 unq 0 iso 1 dist 9.61639 6.92489 6.11704 9.11816 8.80683 5.16662 13.4246 5.70795 7.554 7.92585 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 5.19684 6.21292 8.31875 11.1737 6.94789 5.5163 7.77516 numMergedOcc 0
51 mol 235 unq 0 iso 1 dist 6.86251 5.19684 6.21292 11.9319 6.36341 8.31875 11.1737 6.94789 7.77516 5.5163 numMergedOcc 0
52 mol 235 unq 1 iso 0 dist 6.86251 11.9319 6.36341 7.00293 9.21736 10.5547 11.1737 6.94789 5.5163 11.7254 numMergedOcc 0
53 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 11.9319 6.36341 10.5547 11.1737 6.94789 11.7254 5.5163 numMergedOcc 0
54 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 7.00293 9.21736 4.53064 11.1737 6.94789 7.77516 11.7254 numMergedOcc 0
55 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 5.19684 6.21292 4.53064 11.1737 6.94789 11.7254 7.77516 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 9.54906 7.25858 5.3927 4.30062 5.9627 9.0676 6.56117 numMergedOcc 0
57 mol 249 unq 0 iso 1 dist 4.68783 9.54906 7.25858 9.82483 5.48118 5.3927 4.30062 5.9627 6.56117 9.0676 numMergedOcc 0
58 mol 271 unq 0 iso 0 dist 5.70063 5.6441 8.98576 5.0976 8.92636 7.04094 7.0065 5.92274 5.53238 9.1619 numMergedOcc 0
59 mol 271 unq 0 iso 1 dist 5.70063 5.0976 8.92636 5.6441 8.98576 7.04094 7.0065 5.92274 9.1619 5.53238 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 8.30714 7.97998 7.46394 12.3018 9.45514 10.501 8.44509 7.75216 11.1602 6.52035 numMergedOcc 0
61 mol 274 unq 0 iso 1 dist 8.30714 12.3018 9.45514 7.97998 7.46394 10.501 8.44509 7.75216 6.52035 11.1602 numMergedOcc 0
62 mol 274 unq 1 iso 0 dist 8.30714 7.97998 7.46394 9.61244 8.91672 14.3919 8.44509 7.75216 11.1602 5.58338 numMergedOcc 0
63 mol 274 unq 1 iso 1 dist 8.30714 9.61244 8.91672 7.97998 7.46394 14.3919 8.44509 7.75216 5.58338 11.1602 numMergedOcc 0
64 mol 274 unq 2 iso 0 dist 8.30714 7.97998 7.46394 5.7745 7.1729 6.15918 8.44509 7.75216 11.1602 5.71192 numMergedOcc 0
65 mol 274 unq 2 iso 1 dist 8.30714 5.7745 7.1729 7.97998 7.46394 6.15918 8.44509 7.75216 5.71192 11.1602 numMergedOcc 0
66 mol 274 unq 1 iso 0 dist 8.30714 12.3018 9.45514 9.61244 8.91672 11.7196 8.44509 7.75216 6.52035 5.58338 numMergedOcc 0
67 mol 274 unq 1 iso 1 dist 8.30714 9.61244 8.91672 12.3018 9.45514 11.7196 8.44509 7.75216 5.58338 6.52035 numMergedOcc 0
68 mol 274 unq 2 iso 0 dist 8.30714 12.3018 9.45514 5.7745 7.1729 6.828 8.44509 7.75216 6.52035 5.71192 numMergedOcc 0
69 mol 274 unq 2 iso 1 dist 8.30714 5.7745 7.1729 12.3018 9.45514 6.828 8.44509 7.75216 5.71192 6.52035 numMergedOcc 0
70 mol 274 unq 2 iso 0 dist 8.30714 9.61244 8.91672 5.7745 7.1729 10.0083 8.44509 7.75216 5.58338 5.71192 numMergedOcc 0
71 mol 274 unq 2 iso 1 dist 8.30714 5.7745 7.1729 9.61244 8.91672 10.0083 8.44509 7.75216 5.71192 5.58338 numMergedOcc 0
72 mol 274 unq 3 iso 0 dist 9.02661 17.306 8.52587 10.2307 6.39866 11.3308 14.7933 6.88827 6.20558 6.16703 numMergedOcc 0
73 mol 274 unq 3 iso 1 dist 9.02661 10.2307 6.39866 17.306 8.52587 11.3308 14.7933 6.88827 6.16703 6.20558 numMergedOcc 0
74 mol 274 unq 4 iso 0 dist 9.02661 17.306 8.52587 10.2307 6.39866 11.3308 7.09841 9.16942 16.3619 5.64601 numMergedOcc 0
75 mol 274 unq 4 iso 1 dist 9.02661 10.2307 6.39866 17.306 8.52587 11.3308 7.09841 9.16942 5.64601 16.3619 numMergedOcc 0
