0 mol 45 unq 0 iso 0 dist 9.73896 7.06216 7.06308 6.96797 5.24762 6.34173 5.84852 6.43774 4.71384 7.2846 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.73896 7.06216 7.06308 6.96797 5.24762 6.34173 6.5822 11.2563 5.67689 7.58835 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.96797 7.06216 6.34173 9.73896 5.24762 7.06308 5.84852 7.2846 4.71384 6.43774 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.70094 8.67697 6.33365 10.0492 9.02771 5.15851 6.54018 11.673 10.0425 7.79912 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 8.70094 8.67697 6.33365 10.0492 9.02771 5.15851 11.0836 15.657 11.8774 8.56639 numMergedOcc 0
5 mol 75 unq 2 iso 0 dist 8.70094 8.67697 6.33365 10.0492 9.02771 5.15851 12.9421 15.872 10.0372 8.59017 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.81252 6.83232 7.52743 13.845 5.59517 8.71128 12.5554 10.1027 5.80557 7.5732 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.37427 10.3152 6.87861 15.7 10.4294 6.50039 15.4066 11.8322 5.60178 4.99221 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 8.49634 6.91348 12.0425 6.63273 8.6243 7.69184 6.85062 6.19596 7.12972 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.5778 17.082 8.6355 14.8658 8.80819 8.79571 13.5276 6.49416 5.41704 8.94367 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.5778 17.082 8.6355 14.8658 8.80819 8.79571 19.8541 12.5075 6.17103 9.86662 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.5778 17.082 8.6355 13.131 5.00817 5.42582 13.5276 6.49416 5.41704 6.37586 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.5778 17.082 8.6355 13.131 5.00817 5.42582 19.8541 12.5075 6.17103 9.71307 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.56095 12.9022 7.16254 10.1181 5.71071 9.14392 6.64179 6.23493 6.3845 7.46303 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 9.56095 12.9022 7.16254 10.1181 5.71071 9.14392 7.67938 10.2463 12.1814 6.43582 numMergedOcc 0
15 mol 155 unq 2 iso 0 dist 9.56095 10.5066 9.86313 10.1181 5.71071 7.51198 6.64179 6.23493 5.86939 7.46303 numMergedOcc 0
16 mol 155 unq 3 iso 0 dist 9.56095 10.5066 9.86313 10.1181 5.71071 7.51198 7.67938 10.2463 6.34186 6.43582 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 8.58958 6.99882 6.25105 7.17987 5.88703 7.85175 14.7629 6.56247 11.216 9.45496 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 8.58958 6.99882 6.25105 7.17987 5.88703 7.85175 13.5847 9.36357 11.4315 6.7625 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 9.70004 7.22134 6.25105 13.9487 5.88703 7.85175 14.3229 6.56247 11.216 9.45496 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 9.70004 7.22134 6.25105 13.9487 5.88703 7.85175 17.5883 9.36357 11.4315 6.7625 numMergedOcc 0
21 mol 234 unq 4 iso 0 dist 7.17987 6.99882 7.85175 8.58958 5.88703 6.25105 16.0172 12.9605 10.3337 8.34494 numMergedOcc 0
22 mol 234 unq 5 iso 0 dist 7.17987 6.99882 7.85175 8.58958 5.88703 6.25105 14.7629 9.45496 11.216 6.56247 numMergedOcc 0
23 mol 234 unq 6 iso 0 dist 7.17987 6.99882 7.85175 8.58958 5.88703 6.25105 13.5847 6.7625 11.4315 9.36357 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.0087 9.3775 7.17676 12.1533 7.28249 5.34718 11.2678 8.03456 11.8759 9.81562 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 6.0087 9.3775 7.17676 12.1533 7.28249 5.34718 12.338 6.84306 11.3552 7.68742 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 6.0087 9.3775 7.17676 12.1533 7.28249 5.34718 12.431 9.99038 6.04825 6.27581 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 9.0157 9.45521 8.96876 9.14351 8.34718 8.83735 12.1004 11.7594 5.23473 7.57994 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 9.0157 9.45521 8.96876 9.14351 8.34718 8.83735 9.40115 12.2913 7.38675 6.18582 numMergedOcc 0
