0 mol 45 unq 0 iso 0 dist 9.73896 7.06216 7.06308 6.96797 5.24762 6.34173 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.73896 7.06216 7.06308 12.0134 5.48601 9.43442 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.96797 7.06216 6.34173 9.73896 5.24762 7.06308 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 6.96797 7.06216 6.34173 12.0134 5.101 9.43442 numMergedOcc 0
4 mol 45 unq 4 iso 0 dist 8.43515 6.47205 6.99408 13.6053 6.11102 9.3403 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.70094 8.67697 6.33365 10.0492 9.02771 5.15851 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.24378 9.43349 8.19682 12.9184 10.2879 6.21982 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.364 6.94038 8.39016 10.4505 7.60026 6.99355 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 7.37255 7.88117 8.39016 11.4877 7.60026 6.99355 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.81252 6.83232 7.52743 13.845 5.59517 8.71128 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 6.37427 10.3152 6.87861 15.7 10.4294 6.50039 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 6.61066 10.3807 6.50039 16.2101 10.4294 6.87861 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.44766 8.49634 6.91348 12.0425 6.63273 8.6243 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.5778 17.082 8.6355 14.8658 8.80819 8.79571 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.5778 17.082 8.6355 13.131 5.00817 5.42582 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 9.56095 12.9022 7.16254 10.1181 5.71071 9.14392 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 9.56095 10.5066 9.86313 10.1181 5.71071 7.51198 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 9.72828 6.76195 6.98095 11.173 4.83994 7.93331 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 9.72828 6.76195 6.98095 13.8096 8.17887 8.31897 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.60878 6.06625 7.01383 14.6463 6.64382 9.93083 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 9.24466 4.91881 8.45368 10.8844 13.7995 9.59129 numMergedOcc 0
21 mol 228 unq 0 iso 0 dist 9.51602 5.55391 7.65132 13.6129 11.1899 8.06181 numMergedOcc 0
22 mol 228 unq 1 iso 0 dist 9.51602 5.55391 7.65132 13.2424 7.09673 8.38048 numMergedOcc 0
23 mol 228 unq 2 iso 0 dist 9.51602 5.55391 7.65132 13.2974 10.2985 8.53764 numMergedOcc 0
24 mol 228 unq 3 iso 0 dist 9.46214 5.86537 7.94506 13.6177 11.3702 7.77367 numMergedOcc 0
25 mol 228 unq 4 iso 0 dist 9.46214 5.86537 7.94506 13.1604 7.22215 8.20909 numMergedOcc 0
26 mol 228 unq 5 iso 0 dist 9.46214 5.86537 7.94506 13.2291 10.3635 8.15494 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 8.58958 6.99882 6.25105 7.17987 5.88703 7.85175 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.70004 7.22134 6.25105 13.9487 5.88703 7.85175 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 7.17987 6.99882 7.85175 8.58958 5.88703 6.25105 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 6.0087 9.3775 7.17676 12.1533 7.28249 5.34718 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 9.0157 9.45521 8.96876 9.14351 8.34718 8.83735 numMergedOcc 0
32 mol 249 unq 1 iso 0 dist 9.14351 9.45521 8.83735 9.0157 8.34718 8.96876 numMergedOcc 0
33 mol 276 unq 0 iso 0 dist 6.97104 9.95978 8.76347 14.9941 8.88126 9.38971 numMergedOcc 0
34 mol 276 unq 1 iso 0 dist 6.97104 9.95978 8.76347 9.40572 5.50479 8.71541 numMergedOcc 0
35 mol 276 unq 2 iso 0 dist 8.63281 12.5917 8.76347 16.8535 8.88126 9.38971 numMergedOcc 0
36 mol 276 unq 3 iso 0 dist 8.63281 12.5917 8.76347 12.6761 5.50479 8.71541 numMergedOcc 0
