0 mol 28 unq 0 iso 0 dist 8.24422 8.99724 5.89728 9.86409 5.81701 8.89091 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 8.99724 8.24422 5.89728 9.86409 8.89091 5.81701 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.59376 8.18794 4.83516 8.94022 4.70333 5.88946 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 8.18794 6.59376 4.83516 8.94022 5.88946 4.70333 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 8.86053 8.76925 10.2931 9.70029 14.0851 6.8989 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 8.76925 8.86053 10.2931 9.70029 6.8989 14.0851 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.29755 7.4038 5.58256 9.57335 9.58891 7.573 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 7.4038 6.29755 5.58256 9.57335 7.573 9.58891 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.29755 7.4038 5.58256 8.60653 11.1253 10.063 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 7.4038 6.29755 5.58256 8.60653 10.063 11.1253 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 9.25638 8.01856 4.29326 9.67641 10.4188 6.56501 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 8.01856 9.25638 4.29326 9.67641 6.56501 10.4188 numMergedOcc 0
12 mol 71 unq 0 iso 0 dist 6.14513 7.4392 4.86089 9.14345 6.64442 11.496 numMergedOcc 0
13 mol 71 unq 0 iso 1 dist 7.4392 6.14513 4.86089 9.14345 11.496 6.64442 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 5.37449 9.52666 7.53933 7.3795 7.75939 4.98309 numMergedOcc 0
15 mol 76 unq 0 iso 1 dist 9.52666 5.37449 7.53933 7.3795 4.98309 7.75939 numMergedOcc 0
16 mol 96 unq 0 iso 0 dist 9.06717 9.579 6.20878 9.92798 8.5743 4.0331 numMergedOcc 0
17 mol 96 unq 0 iso 1 dist 9.579 9.06717 6.20878 9.92798 4.0331 8.5743 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.88143 6.62952 8.21408 6.04768 12.9271 12.2431 numMergedOcc 0
19 mol 98 unq 0 iso 1 dist 6.62952 7.88143 8.21408 6.04768 12.2431 12.9271 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 8.44933 7.43803 4.6635 8.2793 6.58625 6.67445 numMergedOcc 0
21 mol 125 unq 0 iso 1 dist 7.43803 8.44933 4.6635 8.2793 6.67445 6.58625 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 7.08934 8.87346 4.82565 7.64707 8.86946 6.36597 numMergedOcc 0
23 mol 162 unq 0 iso 1 dist 8.87346 7.08934 4.82565 7.64707 6.36597 8.86946 numMergedOcc 0
24 mol 203 unq 0 iso 0 dist 7.72215 5.46529 5.73409 8.83947 6.40721 4.76871 numMergedOcc 0
25 mol 203 unq 0 iso 1 dist 5.46529 7.72215 5.73409 8.83947 4.76871 6.40721 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 6.72105 7.96569 4.68796 6.71099 5.0625 4.86592 numMergedOcc 0
27 mol 232 unq 0 iso 1 dist 7.96569 6.72105 4.68796 6.71099 4.86592 5.0625 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 7.84151 7.85797 12.9925 8.16005 11.4694 4.73332 numMergedOcc 0
29 mol 273 unq 0 iso 1 dist 7.85797 7.84151 12.9925 8.16005 4.73332 11.4694 numMergedOcc 0
