0 mol 15 unq 0 iso 0 dist 5.70754 5.69927 8.4014 10.8364 12.4204 6.82187 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.89667 5.3315 8.31381 11.0942 4.93643 9.80897 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.89667 5.3315 8.31381 10.3023 4.74002 8.37225 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 9.34184 9.30664 7.78892 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 4.90216 10.9658 8.30217 15.3294 10.4919 9.75265 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.4515 12.4903 9.10566 11.5026 4.40015 9.41049 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.9602 4.21164 9.67557 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 13.7482 10.3271 9.64641 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 12.173 9.30266 9.32858 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 9.30187 6.7814 7.78789 7.82249 5.24084 9.32858 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 12.5418 6.39355 8.75778 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 6.65878 6.61102 8.00624 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 7.84813 6.10584 7.32151 6.65878 6.61102 8.42289 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 8.76449 6.91778 6.73617 5.47265 10.0388 9.88662 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 8.36182 6.91778 9.03544 5.47265 9.71714 9.88662 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.37245 4.12904 8.16252 9.24754 5.57089 8.32426 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 8.95296 6.32863 5.36671 8.39087 11.1876 9.23645 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 6.10021 5.48405 5.36671 13.0903 11.1876 9.23645 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.48066 6.59758 7.48734 5.60956 3.60864 8.41715 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 6.48066 5.81821 5.6125 5.60956 3.60864 7.79893 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 9.85777 10.5366 6.94789 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 8.93485 4.2475 9.31158 5.05912 9.27501 6.23932 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 5.66636 6.8901 9.31158 10.4571 10.5366 6.94789 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 5.66636 6.8901 9.31158 6.60429 9.27501 6.23932 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 5.70065 6.59517 6.13878 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 13.7186 10.8478 8.82388 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 18.1887 11.3756 7.69358 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.25703 10.6892 8.12739 12.5807 4.66969 8.88221 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.25703 10.6892 8.12739 18.3917 12.3693 9.65027 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.84189 11.7959 8.98698 12.7673 5.13698 8.71506 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 7.84189 11.7959 8.98698 12.7673 5.13698 8.71506 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 7.84189 11.7959 8.98698 12.7673 5.13698 8.71506 numMergedOcc 0
