0 mol 7 unq 0 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 8.00249 4.80709 7.67927 11.143 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 8.75465 4.80709 6.1206 7.12508 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 11.1757 3.73215 8.87744 6.28159 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 14.1985 10.512 6.6219 4.82629 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 11.3204 5.75711 6.21799 7.47371 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 12.3271 5.26077 5.03251 9.67587 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 6.1991 6.27231 5.75428 4.46005 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 5.96246 11.734 8.57395 8.28518 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 10.1197 17.4304 9.85409 15.917 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 6.1991 6.27231 5.75428 3.94293 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 5.96246 11.734 8.57395 9.22202 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 10.1197 17.4304 9.85409 13.7484 numMergedOcc 0
12 mol 95 unq 6 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 6.1991 6.27231 5.75428 12.4896 numMergedOcc 0
13 mol 95 unq 7 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 5.96246 11.734 8.57395 14.2178 numMergedOcc 0
14 mol 95 unq 8 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 10.1197 17.4304 9.85409 8.78079 numMergedOcc 0
15 mol 95 unq 9 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 8.57607 6.27231 8.27883 4.99174 numMergedOcc 0
16 mol 95 unq 10 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 5.96246 6.95874 8.57395 8.28518 numMergedOcc 0
17 mol 95 unq 11 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 10.1197 12.3063 9.85409 15.917 numMergedOcc 0
18 mol 95 unq 12 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 8.57607 6.27231 8.27883 8.67311 numMergedOcc 0
19 mol 95 unq 13 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 5.96246 6.95874 8.57395 9.22202 numMergedOcc 0
20 mol 95 unq 14 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 10.1197 12.3063 9.85409 13.7484 numMergedOcc 0
21 mol 95 unq 15 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 8.57607 6.27231 8.27883 15.6249 numMergedOcc 0
22 mol 95 unq 16 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 5.96246 6.95874 8.57395 14.2178 numMergedOcc 0
23 mol 95 unq 17 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 10.1197 12.3063 9.85409 8.78079 numMergedOcc 0
24 mol 95 unq 18 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 8.57607 11.734 8.27883 4.99174 numMergedOcc 0
25 mol 95 unq 19 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 6.1991 6.95874 5.75428 4.46005 numMergedOcc 0
26 mol 95 unq 20 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 10.1197 9.43547 9.85409 15.917 numMergedOcc 0
27 mol 95 unq 21 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 8.57607 11.734 8.27883 8.67311 numMergedOcc 0
28 mol 95 unq 22 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 6.1991 6.95874 5.75428 3.94293 numMergedOcc 0
29 mol 95 unq 23 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 10.1197 9.43547 9.85409 13.7484 numMergedOcc 0
30 mol 95 unq 24 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 8.57607 11.734 8.27883 15.6249 numMergedOcc 0
31 mol 95 unq 25 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 6.1991 6.95874 5.75428 12.4896 numMergedOcc 0
32 mol 95 unq 26 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 10.1197 9.43547 9.85409 8.78079 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 6.37954 6.70343 5.2571 3.9764 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 14.4605 9.6331 7.02507 7.03983 numMergedOcc 0
35 mol 98 unq 2 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 5.91797 6.70343 7.54889 10.4782 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 11.7396 6.73011 7.34473 10.3079 7.49425 7.86666 13.0886 numMergedOcc 0
37 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 12.5218 11.044 9.42082 15.3161 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 12.5218 11.044 9.42082 6.63111 numMergedOcc 0
39 mol 115 unq 2 iso 0 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 12.5218 11.044 9.42082 6.07067 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 6.14652 5.83782 8.69531 7.41373 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 6.14652 5.83782 8.69531 10.8635 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 7.76446 5.83782 9.1998 12.8086 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 7.76446 5.83782 9.1998 15.0225 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 8.34839 5.39112 8.56324 9.83462 3.55572 8.9192 4.84714 numMergedOcc 0
45 mol 152 unq 1 iso 0 dist 9.83462 5.65129 8.9192 8.34839 4.84714 8.56324 9.4275 3.55572 6.59889 5.39112 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 8.61619 3.58181 7.48954 9.53117 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 8.63804 3.58181 5.56538 6.84862 numMergedOcc 0
48 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.9467 5.74165 8.23192 11.2306 6.67199 8.67156 9.89868 numMergedOcc 0
49 mol 243 unq 1 iso 0 dist 6.56525 5.8297 7.10671 10.8689 5.74165 8.23192 5.46817 6.67199 8.67156 9.89868 numMergedOcc 0
50 mol 243 unq 2 iso 0 dist 5.46817 5.8297 8.67156 10.8689 9.89868 8.23192 6.56525 6.67199 7.10671 5.74165 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 7.88009 9.57081 8.9682 16.2514 17.6038 9.7748 18.6345 16.9644 9.35539 11.4555 numMergedOcc 0
52 mol 277 unq 1 iso 0 dist 7.88009 9.57081 8.9682 16.2514 17.6038 9.7748 5.80061 3.39114 6.92711 14.772 numMergedOcc 0
53 mol 277 unq 2 iso 0 dist 5.80061 9.57081 6.92711 16.2514 14.772 9.7748 18.6345 15.8851 9.35539 11.4555 numMergedOcc 0
54 mol 277 unq 3 iso 0 dist 5.80061 9.57081 6.92711 16.2514 14.772 9.7748 7.88009 3.39114 8.9682 17.6038 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.0145 7.8414 8.2734 11.097 9.14614 8.38121 14.179 numMergedOcc 0
