0 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 12.5693 4.70708 6.80822 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 11.8397 6.29127 6.72467 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 11.7699 6.59294 7.64235 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 5.41493 6.07784 4.68793 9.81435 5.62412 6.00623 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 5.41493 6.07784 4.68793 6.0961 5.0364 6.59367 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.05508 6.07398 9.05547 8.17564 14.134 8.10708 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 16.125 10.6667 7.72437 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.99491 7.89444 5.54343 10.6144 5.35421 8.61926 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 17.1618 9.06307 6.59302 numMergedOcc 0
9 mol 71 unq 1 iso 0 dist 8.85372 13.9588 8.21553 18.1872 11.3111 9.93626 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 10.2332 5.44503 8.57285 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 16.4711 11.206 9.72291 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 13.9247 11.206 9.72291 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 16.6765 11.206 9.72291 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 10.3204 5.38746 7.13078 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 8.1088 4.52935 8.70197 9.56248 13.5291 7.33162 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.78438 5.59897 7.0119 9.91294 4.8585 9.5964 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 10.3034 6.40312 5.77356 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.05929 6.0905 6.73134 8.71945 6.2568 9.24309 numMergedOcc 0
