0 mol 4 unq 0 iso 0 dist 8.85328 15.4662 7.35416 10.9976 6.29581 8.24634 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.85328 6.47885 6.42755 10.9976 6.29581 9.16617 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.17764 5.1316 6.14469 10.8066 8.43473 6.7985 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.17764 5.1316 6.14469 13.8166 5.03847 9.68596 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 4.9737 6.09666 6.93197 9.77906 7.23703 6.46104 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 4.9737 6.09666 6.93197 8.90473 5.81765 7.36856 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.6492 6.90833 8.97364 12.9682 5.94827 9.90939 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.15011 8.51558 6.77241 9.96446 8.70803 5.9465 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.15011 8.51558 6.77241 6.70686 8.87994 6.97962 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 6.15011 8.51558 6.77241 13.1422 7.52639 9.95342 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 6.14674 10.0075 6.77241 13.4851 8.70803 5.9465 numMergedOcc 0
11 mol 92 unq 4 iso 0 dist 6.14674 10.0075 6.77241 11.5693 8.87994 6.97962 numMergedOcc 0
12 mol 92 unq 5 iso 0 dist 6.14674 10.0075 6.77241 13.4318 7.52639 9.95342 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.21813 5.081 6.88901 9.32725 7.06961 6.65501 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 7.89276 14.1992 6.88901 10.6719 7.06961 6.65501 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.58313 7.76066 5.75014 9.61812 4.86592 7.80975 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.58313 7.76066 5.75014 14.7281 7.96533 7.10378 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.85849 6.64576 6.40575 4.68975 4.60632 5.83771 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.85849 6.64576 6.40575 4.9155 5.71679 7.80532 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.35946 7.07473 6.40575 14.2731 7.41674 7.69991 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.35946 7.07473 6.40575 13.25 9.87376 6.23142 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.35946 7.07473 6.40575 15.4207 14.9876 9.94764 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 6.08299 5.87436 6.40575 9.15658 4.60632 5.83771 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 6.08299 5.87436 6.40575 9.42271 5.71679 7.80532 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.10556 4.96213 6.83404 12.3743 10.1432 9.97343 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 6.10556 4.96213 6.83404 11.9847 7.27731 9.70413 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 5.42285 13.6106 8.21184 9.55307 5.81563 7.30357 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 5.42285 10.3208 5.9976 9.55307 5.81563 8.61587 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.01017 5.06341 7.32087 9.75336 4.43096 6.2479 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 9.01017 5.06341 7.32087 6.09874 6.06566 6.22122 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 9.01017 5.06341 7.32087 12.9131 12.2164 7.99195 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 9.54437 14.4514 7.32087 13.6244 4.43096 6.2479 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 9.54437 14.4514 7.32087 14.4779 6.06566 6.22122 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 9.54437 14.4514 7.32087 19.2039 12.2164 7.99195 numMergedOcc 0
34 mol 181 unq 6 iso 0 dist 6.02094 4.80772 5.94379 10.043 7.16549 6.59025 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 8.25221 8.47522 6.60053 14.6745 12.717 8.77999 numMergedOcc 0
36 mol 192 unq 1 iso 0 dist 6.64416 8.47522 9.36796 14.6745 14.8459 8.77999 numMergedOcc 0
37 mol 226 unq 0 iso 0 dist 7.71605 5.424 5.70795 13.5571 7.92585 8.80683 numMergedOcc 0
38 mol 226 unq 1 iso 0 dist 7.71605 5.424 5.70795 10.2552 7.554 6.11704 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 8.08581 5.86896 6.94789 5.60236 5.5163 6.36341 numMergedOcc 0
40 mol 235 unq 1 iso 0 dist 8.08581 5.86896 6.94789 11.2471 7.77516 6.21292 numMergedOcc 0
41 mol 235 unq 2 iso 0 dist 8.08581 5.86896 6.94789 13.8175 11.7254 9.21736 numMergedOcc 0
42 mol 235 unq 3 iso 0 dist 5.98104 4.88651 6.94789 9.03917 5.5163 6.36341 numMergedOcc 0
43 mol 235 unq 4 iso 0 dist 5.98104 4.88651 6.94789 6.56775 7.77516 6.21292 numMergedOcc 0
44 mol 235 unq 5 iso 0 dist 5.98104 4.88651 6.94789 10.8773 11.7254 9.21736 numMergedOcc 0
45 mol 271 unq 0 iso 0 dist 6.7192 9.6593 5.92274 13.5807 8.66946 9.70714 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 6.74022 8.85159 6.88827 9.13226 5.29529 9.85289 numMergedOcc 0
47 mol 284 unq 0 iso 0 dist 6.53769 10.1686 7.34931 7.43241 4.50325 6.78191 numMergedOcc 0
