0 mol 0 unq 0 iso 0 dist 8.99617 8.86609 11.2254 11.2001 9.19007 12.4853 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 5.87266 5.18338 4.3947 5.41626 7.05346 8.30653 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.78238 9.03541 7.56164 9.59761 6.60423 12.3058 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.78238 9.03541 7.56164 5.641 7.83786 11.3199 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.19692 8.91529 11.8913 5.59189 8.7817 12.7593 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 5.19692 8.91529 11.8913 7.78507 7.55415 16.1642 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 8.10697 8.62204 5.26748 5.39129 7.05737 9.19165 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 8.10697 8.62204 5.26748 5.29179 7.54179 10.9308 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.33162 9.04174 4.69849 9.97169 8.44903 6.66407 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.41473 9.23033 4.55347 6.6796 9.93832 6.6263 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 9.41473 9.23033 4.55347 10.2523 8.60739 6.75943 numMergedOcc 0
11 mol 51 unq 0 iso 0 dist 6.94742 8.04026 5.9318 6.43322 7.76282 12.2673 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.59232 5.79157 5.56296 6.71593 8.85586 10.2939 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 6.59232 5.79157 5.56296 5.72472 5.16364 8.72682 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.59232 7.91605 5.50891 6.71593 8.85586 5.5087 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 6.59232 7.91605 5.50891 5.72472 5.16364 5.61588 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 6.59232 6.43707 4.75954 6.71593 8.85586 6.08682 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 6.59232 6.43707 4.75954 5.72472 5.16364 7.83244 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 6.51666 9.71722 5.14267 10.6649 9.44561 8.11052 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.98581 6.45477 3.75378 4.98373 7.63338 7.36975 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 7.34321 9.95076 13.4835 6.71523 8.00506 16.1559 numMergedOcc 0
21 mol 162 unq 1 iso 0 dist 7.34321 7.76112 11.1329 6.71523 8.00506 14.2948 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 5.32236 8.87876 5.65909 5.96451 8.0154 10.8463 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.51006 9.82338 8.58039 10.568 7.20574 6.61112 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.51006 9.82338 8.58039 11.1286 6.85302 11.456 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 9.51006 7.99933 9.96652 10.568 7.20574 11.4283 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 9.51006 7.99933 9.96652 11.1286 6.85302 14.6051 numMergedOcc 0
27 mol 186 unq 4 iso 0 dist 9.05979 7.7734 11.1813 7.10544 9.56197 13.311 numMergedOcc 0
28 mol 186 unq 5 iso 0 dist 9.05979 7.7734 11.1813 10.591 7.24795 10.6493 numMergedOcc 0
29 mol 186 unq 6 iso 0 dist 9.05979 7.7734 11.1813 8.86145 8.64409 15.4849 numMergedOcc 0
30 mol 186 unq 7 iso 0 dist 9.05979 7.7734 11.1813 10.8899 7.60202 16.1473 numMergedOcc 0
31 mol 223 unq 0 iso 0 dist 6.82737 8.85178 4.40141 4.67731 6.13306 6.42257 numMergedOcc 0
32 mol 223 unq 1 iso 0 dist 6.82737 9.73123 9.63911 4.67731 6.13306 9.33543 numMergedOcc 0
33 mol 223 unq 2 iso 0 dist 6.80967 5.50267 4.40141 7.19485 6.13306 6.42257 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 6.29118 9.11418 8.03712 4.90814 7.83711 6.71524 numMergedOcc 0
35 mol 244 unq 0 iso 0 dist 7.09511 8.42464 9.25117 9.65391 9.80092 11.8289 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 8.46518 7.90773 7.14182 4.53213 6.17052 9.05018 numMergedOcc 0
37 mol 248 unq 1 iso 0 dist 8.46518 7.90773 7.14182 6.33032 9.77666 9.33962 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 6.88874 4.54745 4.34126 5.26867 6.86945 7.15764 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 7.92537 5.60922 8.8725 13.9298 8.29305 15.6964 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 7.92537 5.60922 8.8725 9.73122 6.43341 10.0975 numMergedOcc 0
