0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 8.95357 8.20058 8.45916 4.04757 8.44664 9.98592 11.9824 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 9.63803 8.25132 13.9089 15.3546 9.56639 10.5687 10.177 6.07276 5.63833 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 15.1383 16.4532 9.78762 13.5835 14.1196 8.77077 6.39948 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.56696 6.23966 8.46972 4.92611 7.58957 6.34626 5.85167 numMergedOcc 0
4 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 11.1511 13.3396 8.14405 8.61147 11.1616 9.16358 5.52764 numMergedOcc 0
5 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 11.1511 13.3396 8.14405 5.45915 6.53347 9.24038 11.0203 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 12.1824 14.7738 8.09699 4.98945 9.61462 7.47964 9.21862 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.96988 9.18289 13.0315 13.4102 16.2066 8.41456 6.33168 14.1868 6.56416 12.1711 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.60101 10.0663 8.43638 6.48939 8.69988 9.10288 15.9513 numMergedOcc 0
9 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 9.60101 10.0663 8.43638 5.81626 8.55903 6.19798 13.0497 numMergedOcc 0
10 mol 212 unq 2 iso 0 dist 5.87223 5.03184 3.9436 9.60101 10.0663 8.43638 6.89781 10.6618 7.24895 11.2196 numMergedOcc 0
11 mol 212 unq 3 iso 0 dist 5.87223 5.03184 3.9436 9.48834 10.8077 7.06117 6.48939 8.69988 9.10288 11.9681 numMergedOcc 0
12 mol 212 unq 4 iso 0 dist 5.87223 5.03184 3.9436 9.48834 10.8077 7.06117 5.81626 8.55903 6.19798 5.90313 numMergedOcc 0
13 mol 212 unq 5 iso 0 dist 5.87223 5.03184 3.9436 9.48834 10.8077 7.06117 6.89781 10.6618 7.24895 4.57258 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 4.12728 11.9653 9.25617 7.45491 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 7.13796 14.5387 9.05276 5.77278 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 8.46129 6.32334 5.76843 4.61429 10.1632 5.31916 4.12728 10.8507 9.25617 7.45491 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 4.61429 10.1632 5.31916 7.13796 13.4196 9.05276 5.77278 numMergedOcc 0
18 mol 224 unq 4 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 4.12728 12.9355 9.25617 7.45491 numMergedOcc 0
19 mol 224 unq 5 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 7.13796 12.8311 9.05276 5.77278 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 12.746 20.1985 9.40401 9.95931 15.461 7.77765 7.42475 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.71801 7.15079 11.4471 10.9845 15.5036 5.64169 9.95931 15.461 7.77765 4.48276 numMergedOcc 0
