0 mol 7 unq 0 iso 0 dist 8.75465 6.3236 6.1206 8.00249 4.80709 7.67927 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.00249 6.3236 7.67927 8.75465 4.80709 6.1206 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 11.1757 3.73215 8.87744 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 14.1985 10.512 6.6219 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 11.3204 5.75711 6.21799 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.20886 10.5933 7.66093 12.3271 5.26077 5.03251 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 6.1991 6.27231 5.75428 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 5.96246 11.734 8.57395 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.57607 4.16047 8.27883 10.1197 17.4304 9.85409 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 8.57607 6.27231 8.27883 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 6.1991 4.16047 5.75428 5.96246 6.95874 8.57395 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 6.1991 4.16047 5.75428 10.1197 12.3063 9.85409 numMergedOcc 0
12 mol 95 unq 6 iso 0 dist 5.96246 4.16047 8.57395 8.57607 11.734 8.27883 numMergedOcc 0
13 mol 95 unq 7 iso 0 dist 5.96246 4.16047 8.57395 6.1991 6.95874 5.75428 numMergedOcc 0
14 mol 95 unq 8 iso 0 dist 5.96246 4.16047 8.57395 10.1197 9.43547 9.85409 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 6.37954 6.70343 5.2571 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.91797 9.57791 7.78931 6.37954 6.70343 8.7497 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 6.37954 11.2946 5.92242 14.4605 9.6331 7.02507 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.37954 9.41666 5.2571 5.91797 6.70343 7.54889 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 6.37954 9.57791 8.7497 5.91797 6.70343 7.78931 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 10.3079 7.49425 7.86666 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 12.5218 11.044 9.42082 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.76446 6.47007 6.42772 13.9337 7.62195 9.10524 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 6.14652 5.83782 8.69531 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.76446 14.3375 8.70621 13.3347 6.05407 5.35237 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 6.14652 10.4858 8.69531 7.76446 5.83782 9.1998 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 9.83462 3.55572 8.9192 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 9.83462 5.65129 8.9192 9.4275 3.55572 6.59889 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.33147 4.59843 8.97589 8.09403 5.33725 5.96423 numMergedOcc 0
29 mol 184 unq 1 iso 0 dist 8.09403 4.59843 5.96423 8.33147 5.33725 8.97589 numMergedOcc 0
30 mol 188 unq 0 iso 0 dist 8.01604 10.0103 7.88013 9.07006 3.68927 9.90062 numMergedOcc 0
31 mol 188 unq 1 iso 0 dist 7.03264 7.94258 7.88013 6.32826 3.68927 9.90062 numMergedOcc 0
32 mol 188 unq 2 iso 0 dist 9.07006 10.0103 9.90062 8.01604 3.68927 7.88013 numMergedOcc 0
33 mol 188 unq 3 iso 0 dist 6.32826 7.94258 9.90062 7.03264 3.68927 7.88013 numMergedOcc 0
34 mol 207 unq 0 iso 0 dist 7.25953 5.6688 5.12567 9.05688 6.07936 6.0563 numMergedOcc 0
35 mol 207 unq 1 iso 0 dist 7.25953 5.6688 5.12567 11.8798 10.1734 8.1244 numMergedOcc 0
36 mol 207 unq 2 iso 0 dist 9.05688 10.6526 9.98372 11.8798 4.66347 9.1528 numMergedOcc 0
37 mol 207 unq 3 iso 0 dist 9.05688 5.6688 6.0563 7.25953 6.07936 5.12567 numMergedOcc 0
38 mol 207 unq 4 iso 0 dist 9.05688 5.6688 6.0563 11.8798 4.66347 8.1244 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 8.61619 3.58181 7.48954 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 8.63804 3.58181 5.56538 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 10.3067 4.8835 8.19317 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 6.92276 6.83244 5.70635 10.3067 4.8835 5.1823 numMergedOcc 0
43 mol 235 unq 2 iso 0 dist 8.75776 11.041 6.29377 11.507 4.8835 8.19317 numMergedOcc 0
44 mol 235 unq 3 iso 0 dist 8.75776 7.64039 5.70635 11.507 4.8835 5.1823 numMergedOcc 0
45 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.2306 6.67199 8.67156 numMergedOcc 0
46 mol 243 unq 1 iso 0 dist 6.56525 5.8297 7.10671 5.46817 6.67199 8.67156 numMergedOcc 0
47 mol 243 unq 2 iso 0 dist 5.46817 5.8297 8.67156 6.56525 6.67199 7.10671 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 7.64703 13.5848 6.4611 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 7.64703 7.62102 6.4611 9.61255 13.5848 9.30212 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 7.88009 5.90394 5.46926 5.80061 3.39114 5.13913 numMergedOcc 0
51 mol 277 unq 1 iso 0 dist 7.88009 9.57081 8.9682 18.6345 16.9644 9.35539 numMergedOcc 0
52 mol 277 unq 2 iso 0 dist 7.88009 9.57081 8.9682 5.80061 3.39114 6.92711 numMergedOcc 0
53 mol 277 unq 3 iso 0 dist 5.80061 5.90394 5.13913 7.88009 3.39114 5.46926 numMergedOcc 0
54 mol 277 unq 4 iso 0 dist 5.80061 9.57081 6.92711 18.6345 15.8851 9.35539 numMergedOcc 0
55 mol 277 unq 5 iso 0 dist 5.80061 9.57081 6.92711 7.88009 3.39114 8.9682 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 11.097 9.14614 8.38121 numMergedOcc 0
