0 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 4.22652 6.31608 12.2746 11.6414 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 12.2746 6.31608 4.22652 11.6414 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 6.7846 7.85986 13.7992 12.2839 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 13.7992 7.85986 6.7846 12.2839 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 8.03955 4.30252 8.92779 6.22954 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 8.92779 4.30252 8.03955 6.22954 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 6.7846 7.85986 13.2846 12.2839 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 13.2846 7.85986 6.7846 12.2839 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 8.03955 4.30252 12.3897 6.22954 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 12.3897 4.30252 8.03955 6.22954 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 13.7992 7.85986 13.2846 12.2839 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 13.2846 7.85986 13.7992 12.2839 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 8.92779 4.30252 12.3897 6.22954 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 12.3897 4.30252 8.92779 6.22954 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.9465 5.04493 6.97962 8.70803 6.77241 8.87994 12.2908 6.89071 13.6054 8.93569 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 8.87994 6.77241 8.70803 13.6054 6.89071 12.2908 8.93569 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 5.9465 5.04493 6.97962 9.52327 5.50508 11.641 12.2908 6.89071 13.6054 3.98877 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 6.97962 5.04493 5.9465 11.641 5.50508 9.52327 13.6054 6.89071 12.2908 3.98877 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 5.9465 9.35561 9.95342 8.70803 6.77241 7.52639 12.2908 6.89071 11.2746 8.93569 numMergedOcc 0
19 mol 92 unq 2 iso 1 dist 9.95342 9.35561 5.9465 7.52639 6.77241 8.70803 11.2746 6.89071 12.2908 8.93569 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 5.9465 9.35561 9.95342 9.52327 5.50508 7.34683 12.2908 6.89071 11.2746 3.98877 numMergedOcc 0
21 mol 92 unq 3 iso 1 dist 9.95342 9.35561 5.9465 7.34683 5.50508 9.52327 11.2746 6.89071 12.2908 3.98877 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 6.97962 12.7769 9.95342 8.87994 6.77241 7.52639 13.6054 6.89071 11.2746 8.93569 numMergedOcc 0
23 mol 92 unq 2 iso 1 dist 9.95342 12.7769 6.97962 7.52639 6.77241 8.87994 11.2746 6.89071 13.6054 8.93569 numMergedOcc 0
24 mol 92 unq 3 iso 0 dist 6.97962 12.7769 9.95342 11.641 5.50508 7.34683 13.6054 6.89071 11.2746 3.98877 numMergedOcc 0
25 mol 92 unq 3 iso 1 dist 9.95342 12.7769 6.97962 7.34683 5.50508 11.641 11.2746 6.89071 13.6054 3.98877 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.78706 7.51619 7.23884 11.3905 7.14031 14.2646 9.53244 7.54574 9.91282 10.256 numMergedOcc 0
27 mol 98 unq 0 iso 1 dist 7.23884 7.51619 5.78706 14.2646 7.14031 11.3905 9.91282 7.54574 9.53244 10.256 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.78706 10.6225 5.59328 11.3905 7.14031 4.67519 9.53244 7.54574 6.54016 10.256 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 5.59328 10.6225 5.78706 4.67519 7.14031 11.3905 6.54016 7.54574 9.53244 10.256 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 5.78706 12.7411 7.5242 11.3905 7.14031 10.4027 9.53244 7.54574 11.2206 10.256 numMergedOcc 0
31 mol 98 unq 2 iso 1 dist 7.5242 12.7411 5.78706 10.4027 7.14031 11.3905 11.2206 7.54574 9.53244 10.256 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 7.23884 11.4338 5.59328 14.2646 7.14031 4.67519 9.91282 7.54574 6.54016 10.256 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 5.59328 11.4338 7.23884 4.67519 7.14031 14.2646 6.54016 7.54574 9.91282 10.256 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 7.23884 9.30161 7.5242 14.2646 7.14031 10.4027 9.91282 7.54574 11.2206 10.256 numMergedOcc 0
35 mol 98 unq 2 iso 1 dist 7.5242 9.30161 7.23884 10.4027 7.14031 14.2646 11.2206 7.54574 9.91282 10.256 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.59328 7.72877 7.5242 4.67519 7.14031 10.4027 6.54016 7.54574 11.2206 10.256 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 7.5242 7.72877 5.59328 10.4027 7.14031 4.67519 11.2206 7.54574 6.54016 10.256 numMergedOcc 0
38 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 9.74444 9.10042 10.3716 6.45283 9.38036 11.3136 3.89483 numMergedOcc 0
39 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 10.3716 9.10042 9.74444 11.3136 9.38036 6.45283 3.89483 numMergedOcc 0
40 mol 141 unq 1 iso 0 dist 9.97343 11.4307 9.70413 6.91919 9.75059 7.87881 6.45283 9.38036 11.3136 4.1436 numMergedOcc 0
41 mol 141 unq 1 iso 1 dist 9.70413 11.4307 9.97343 7.87881 9.75059 6.91919 11.3136 9.38036 6.45283 4.1436 numMergedOcc 0
42 mol 141 unq 2 iso 0 dist 9.97343 11.4307 9.70413 10.1432 6.83404 7.27731 6.45283 9.38036 11.3136 12.6017 numMergedOcc 0
43 mol 141 unq 2 iso 1 dist 9.70413 11.4307 9.97343 7.27731 6.83404 10.1432 11.3136 9.38036 6.45283 12.6017 numMergedOcc 0
44 mol 196 unq 0 iso 0 dist 6.70531 10.2747 6.86319 4.54749 7.21349 10.645 5.93821 6.14222 12.4987 5.7225 numMergedOcc 0
45 mol 196 unq 0 iso 1 dist 6.86319 10.2747 6.70531 10.645 7.21349 4.54749 12.4987 6.14222 5.93821 5.7225 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 6.2188 9.78181 12.5452 6.95968 9.78273 4.04428 12.3206 numMergedOcc 0
47 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 12.5452 9.78181 6.2188 4.04428 9.78273 6.95968 12.3206 numMergedOcc 0
48 mol 232 unq 1 iso 0 dist 8.50102 6.56633 9.40808 12.3508 9.8664 8.80479 6.95968 9.78273 4.04428 12.159 numMergedOcc 0
49 mol 232 unq 1 iso 1 dist 9.40808 6.56633 8.50102 8.80479 9.8664 12.3508 4.04428 9.78273 6.95968 12.159 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 6.36341 8.31875 6.21292 5.5163 6.94789 7.77516 4.67058 7.26232 10.28 3.66752 numMergedOcc 0
51 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 7.77516 6.94789 5.5163 10.28 7.26232 4.67058 3.66752 numMergedOcc 0
52 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 5.5163 6.94789 11.7254 4.67058 7.26232 13.783 3.66752 numMergedOcc 0
53 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 11.7254 6.94789 5.5163 13.783 7.26232 4.67058 3.66752 numMergedOcc 0
54 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 7.77516 6.94789 11.7254 10.28 7.26232 13.783 3.66752 numMergedOcc 0
55 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 11.7254 6.94789 7.77516 13.783 7.26232 10.28 3.66752 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 5.48118 5.3927 7.25858 9.0676 5.9627 6.56117 10.3504 8.76518 10.9925 11.2713 numMergedOcc 0
57 mol 249 unq 0 iso 1 dist 7.25858 5.3927 5.48118 6.56117 5.9627 9.0676 10.9925 8.76518 10.3504 11.2713 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 9.32873 9.81919 5.04315 9.84575 numMergedOcc 0
59 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 5.04315 9.81919 9.32873 9.84575 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 8.52587 11.3308 6.39866 6.20558 6.88827 6.16703 12.5154 8.09181 4.60007 8.87313 numMergedOcc 0
61 mol 274 unq 0 iso 1 dist 6.39866 11.3308 8.52587 6.16703 6.88827 6.20558 4.60007 8.09181 12.5154 8.87313 numMergedOcc 0
62 mol 274 unq 1 iso 0 dist 8.52587 11.3308 6.39866 16.3619 9.16942 5.64601 12.5154 8.09181 4.60007 6.97575 numMergedOcc 0
63 mol 274 unq 1 iso 1 dist 6.39866 11.3308 8.52587 5.64601 9.16942 16.3619 4.60007 8.09181 12.5154 6.97575 numMergedOcc 0
