0 mol 44 unq 0 iso 0 dist 7.16036 11.0716 9.96265 7.93542 9.70459 5.12876 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 7.16036 7.93542 9.70459 11.0716 9.96265 5.12876 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 7.16036 11.0716 9.96265 4.61354 7.78905 6.85995 numMergedOcc 0
3 mol 44 unq 1 iso 1 dist 7.16036 4.61354 7.78905 11.0716 9.96265 6.85995 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 7.16036 11.0716 9.96265 6.03595 9.44909 11.3037 numMergedOcc 0
5 mol 44 unq 2 iso 1 dist 7.16036 6.03595 9.44909 11.0716 9.96265 11.3037 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.16036 7.93542 9.70459 4.61354 7.78905 4.19085 numMergedOcc 0
7 mol 44 unq 1 iso 1 dist 7.16036 4.61354 7.78905 7.93542 9.70459 4.19085 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 7.16036 7.93542 9.70459 6.03595 9.44909 10.2017 numMergedOcc 0
9 mol 44 unq 2 iso 1 dist 7.16036 6.03595 9.44909 7.93542 9.70459 10.2017 numMergedOcc 0
10 mol 44 unq 2 iso 0 dist 7.16036 4.61354 7.78905 6.03595 9.44909 6.10468 numMergedOcc 0
11 mol 44 unq 2 iso 1 dist 7.16036 6.03595 9.44909 4.61354 7.78905 6.10468 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 6.85083 8.5275 7.7978 10.3175 9.55751 3.60121 numMergedOcc 0
13 mol 59 unq 0 iso 1 dist 6.85083 10.3175 9.55751 8.5275 7.7978 3.60121 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 9.99643 11.5723 7.52103 3.60123 8.46556 8.61908 numMergedOcc 0
15 mol 61 unq 0 iso 1 dist 9.99643 3.60123 8.46556 11.5723 7.52103 8.61908 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 7.26032 4.4104 8.88225 9.78656 9.49308 7.3718 numMergedOcc 0
17 mol 86 unq 0 iso 1 dist 7.26032 9.78656 9.49308 4.4104 8.88225 7.3718 numMergedOcc 0
18 mol 86 unq 1 iso 0 dist 5.49793 9.86291 8.88225 9.22136 9.49308 7.3718 numMergedOcc 0
19 mol 86 unq 1 iso 1 dist 5.49793 9.22136 9.49308 9.86291 8.88225 7.3718 numMergedOcc 0
20 mol 110 unq 0 iso 0 dist 6.59361 4.88877 9.73174 7.46387 9.65418 4.37555 numMergedOcc 0
21 mol 110 unq 0 iso 1 dist 6.59361 7.46387 9.65418 4.88877 9.73174 4.37555 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 9.14438 6.78949 9.50688 numMergedOcc 0
23 mol 122 unq 0 iso 1 dist 5.09114 9.14438 6.78949 12.0108 9.40018 9.50688 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 4.93984 6.87303 8.14096 6.01114 8.43038 11.1234 numMergedOcc 0
25 mol 167 unq 0 iso 1 dist 4.93984 6.01114 8.43038 6.87303 8.14096 11.1234 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 4.93984 6.87303 8.14096 9.04662 9.87966 13.0523 numMergedOcc 0
27 mol 167 unq 1 iso 1 dist 4.93984 9.04662 9.87966 6.87303 8.14096 13.0523 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 4.93984 6.01114 8.43038 9.04662 9.87966 3.81938 numMergedOcc 0
29 mol 167 unq 1 iso 1 dist 4.93984 9.04662 9.87966 6.01114 8.43038 3.81938 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 12.1024 5.36829 13.4632 numMergedOcc 0
31 mol 214 unq 0 iso 1 dist 6.83122 12.1024 5.36829 6.06185 9.51764 13.4632 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 8.62971 8.34013 8.40773 5.69491 9.18476 10.5872 numMergedOcc 0
33 mol 241 unq 0 iso 1 dist 8.62971 5.69491 9.18476 8.34013 8.40773 10.5872 numMergedOcc 0
34 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 6.09915 8.94023 4.32316 numMergedOcc 0
35 mol 249 unq 0 iso 1 dist 6.42827 6.09915 8.94023 7.26569 6.37672 4.32316 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 4.58695 7.15815 7.05365 numMergedOcc 0
37 mol 253 unq 0 iso 1 dist 5.76077 4.58695 7.15815 5.03278 5.89502 7.05365 numMergedOcc 0
38 mol 253 unq 1 iso 0 dist 7.0247 12.6079 5.89502 11.088 7.15815 7.05365 numMergedOcc 0
39 mol 253 unq 1 iso 1 dist 7.0247 11.088 7.15815 12.6079 5.89502 7.05365 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 6.8133 9.02523 9.6898 9.57206 5.75596 13.4368 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 6.8133 9.57206 5.75596 9.02523 9.6898 13.4368 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 5.69465 7.13877 9.20416 10.9754 7.53641 10.0257 numMergedOcc 0
43 mol 292 unq 1 iso 1 dist 5.69465 10.9754 7.53641 7.13877 9.20416 10.0257 numMergedOcc 0
