0 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 13.4236 12.7147 9.48085 16.4071 15.056 12.1492 8.53931 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 9.78839 3.39994 6.24711 14.4774 7.79336 5.32981 7.08559 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.81143 9.84195 7.18022 9.78839 3.39994 6.24711 8.19638 11.2173 8.90278 8.63635 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.78839 9.84195 6.24711 9.81143 3.39994 7.18022 14.4774 7.08559 5.32981 7.79336 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 5.85007 8.2592 5.77326 10.1263 5.47706 4.92509 8.07568 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 7.32064 13.1649 8.65848 14.2511 7.95975 7.25801 10.1263 5.47706 5.22036 8.89842 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 4.62314 4.4651 6.85523 6.35234 8.2592 5.77326 6.88255 5.47706 4.92509 8.07568 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 4.62314 9.31889 8.65848 10.6907 7.95975 7.25801 6.88255 5.47706 5.22036 8.89842 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.85007 7.17843 5.77326 7.32064 8.2592 6.85523 10.1263 8.07568 4.92509 5.47706 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 6.35234 4.4651 5.77326 4.62314 8.2592 6.85523 6.88255 8.07568 4.92509 5.47706 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 10.5543 6.70343 5.2571 4.45424 4.44979 10.0962 6.61111 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.33961 12.3835 7.78931 10.5543 6.70343 8.7497 4.45424 4.44979 11.2452 6.61111 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.3505 11.3628 5.2571 14.2657 6.70343 7.54889 12.8333 6.61111 10.0962 4.44979 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 8.3505 13.9599 8.7497 14.2657 6.70343 7.78931 12.8333 6.61111 11.2452 4.44979 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 7.34638 10.4417 7.02507 8.3505 9.6331 5.92242 12.8333 14.6927 9.74284 6.61111 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 6.0995 9.63267 7.02507 8.32269 9.6331 5.92242 14.3306 14.6927 9.74284 6.61111 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.29816 14.676 7.54889 12.9554 6.70343 5.2571 9.31771 4.44979 10.0962 6.61111 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 9.29816 16.3389 7.78931 12.9554 6.70343 8.7497 9.31771 4.44979 11.2452 6.61111 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 5.08983 7.1452 7.54889 9.58039 6.70343 5.2571 9.47873 4.44979 10.0962 6.61111 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 5.08983 4.96747 7.78931 9.58039 6.70343 8.7497 9.47873 4.44979 11.2452 6.61111 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 9.80187 5.11 9.05166 6.40435 6.12922 6.35364 8.91262 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.78303 6.36794 8.69531 10.6236 5.83782 9.1998 11.5532 7.43401 6.74887 6.44575 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 8.77904 6.64464 7.68266 6.48993 3.55199 6.84752 4.0737 10.5288 7.69326 7.30954 numMergedOcc 0
23 mol 167 unq 1 iso 0 dist 8.77904 5.70785 7.6616 6.48993 3.55199 7.86563 4.0737 10.5288 9.46955 7.30954 numMergedOcc 0
24 mol 167 unq 2 iso 0 dist 8.77904 7.91498 9.2289 11.1687 9.25262 7.20495 4.0737 10.5288 6.36909 9.1326 numMergedOcc 0
25 mol 167 unq 3 iso 0 dist 8.77904 7.91498 9.2289 6.48993 3.55199 7.02548 4.0737 10.5288 6.36909 7.30954 numMergedOcc 0
26 mol 167 unq 4 iso 0 dist 6.48993 7.91498 7.02548 11.1687 6.81449 7.20495 4.0737 7.30954 6.36909 9.1326 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 7.25438 9.20928 8.14831 15.0418 13.7858 6.50998 17.0203 13.9144 8.69249 8.91356 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 7.25438 9.20928 8.14831 15.0418 13.7858 6.50998 20.9364 22.2172 14.2819 9.59574 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 4.95855 5.59901 6.9899 10.7775 8.0048 8.03219 4.09442 6.23661 5.31048 8.84648 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 7.72489 5.41945 6.95511 4.95855 3.51848 5.85442 4.09442 9.43105 5.79468 6.23661 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 7.15079 4.37547 9.30212 9.39896 13.5848 6.4611 5.89955 12.703 5.31116 6.66172 numMergedOcc 0
