0 mol 43 unq 0 iso 0 dist 8.84944 4.64937 5.51659 7.20713 6.57633 5.5061 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.21995 7.95541 5.51659 6.53557 6.57633 5.5061 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.35252 6.39496 8.80801 5.76698 8.8645 11.1932 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.06188 6.47086 8.5859 5.75684 8.3491 11.3611 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 6.49343 8.56126 7.24597 3.97936 9.06612 10.0102 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 6.49343 8.56126 7.24597 10.507 6.04797 7.60185 numMergedOcc 0
6 mol 63 unq 2 iso 0 dist 6.49343 8.56126 7.24597 15.191 8.88058 13.7081 numMergedOcc 0
7 mol 63 unq 3 iso 0 dist 9.78739 11.5369 7.24597 11.1699 9.06612 10.0102 numMergedOcc 0
8 mol 63 unq 4 iso 0 dist 9.78739 11.5369 7.24597 5.32214 6.04797 7.60185 numMergedOcc 0
9 mol 63 unq 5 iso 0 dist 9.78739 11.5369 7.24597 11.3685 8.88058 13.7081 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 5.66803 10.8544 7.03264 7.91421 7.11238 9.98074 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 8.85416 10.8964 7.03264 5.48409 7.11238 9.98074 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.7142 6.50601 8.79971 13.0959 9.73179 10.1026 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 6.22441 4.40643 9.42123 6.65805 9.72782 8.42355 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 6.22441 4.40643 9.42123 9.24705 8.81954 11.8311 numMergedOcc 0
15 mol 87 unq 2 iso 0 dist 6.22441 13.0389 9.67406 6.65805 9.72782 10.5956 numMergedOcc 0
16 mol 87 unq 3 iso 0 dist 6.22441 13.0389 9.67406 9.24705 8.81954 5.72288 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 5.83719 9.81852 9.62885 7.4454 9.35701 4.65331 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.65031 5.05633 6.89622 7.28039 7.94976 5.46646 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.51844 6.97725 6.89622 5.51498 7.94976 5.46646 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 5.61326 6.15002 6.77515 7.83764 8.84149 4.65091 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 6.52136 10.9533 9.24348 6.86345 8.43994 5.84459 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.50756 6.25318 9.21798 4.606 9.5745 8.63575 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.52996 9.84803 9.96919 4.89645 7.3963 5.60784 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 7.79787 6.33602 8.92083 8.65358 8.93589 13.1329 numMergedOcc 0
