0 mol 28 unq 0 iso 0 dist 8.02162 5.65052 8.92334 10.7046 4.23443 9.20625 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.93792 10.6411 6.57978 9.14324 4.2509 8.90701 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.44912 9.47129 8.34115 5.13951 6.36692 7.89895 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.44912 9.47129 8.34115 5.88852 4.44938 9.54996 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 9.44912 9.47129 8.34115 10.5961 10.6386 7.71942 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.61211 8.92644 7.02755 14.1681 7.01382 6.94359 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.2575 4.84565 5.87382 12.2822 9.61655 9.68809 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 7.78914 9.18392 9.13689 5.94417 3.3085 6.14769 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 7.78914 9.18392 9.13689 7.48283 8.27043 8.02616 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 9.35938 12.4571 9.13689 10.2887 3.3085 6.14769 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 9.35938 12.4571 9.13689 16.5314 8.27043 8.02616 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 9.79115 19.1854 9.58166 12.2368 5.11518 8.76341 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 5.79144 7.46089 6.81144 6.00045 3.06927 8.20354 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 8.56192 13.5195 9.40138 10.6668 10.3887 5.61752 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.92364 6.98632 8.15495 5.94087 3.52454 4.95355 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 8.32306 5.45067 5.95109 12.863 5.11592 8.96074 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 9.35071 6.0031 5.48736 9.48167 3.83847 7.668 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.01673 6.78632 4.44509 5.55434 5.98994 7.87797 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 7.30584 5.67613 4.76164 7.71093 5.99357 7.8339 numMergedOcc 0
19 mol 268 unq 0 iso 0 dist 7.04565 6.41127 5.49906 9.73322 3.80726 8.38444 numMergedOcc 0
20 mol 268 unq 1 iso 0 dist 7.04565 6.41127 5.49906 12.2059 6.58875 7.30388 numMergedOcc 0
21 mol 268 unq 2 iso 0 dist 8.69312 14.7037 9.06348 13.3183 6.6936 8.67339 numMergedOcc 0
