0 mol 11 unq 0 iso 0 dist 5.47299 7.27588 6.83186 13.1065 10.7048 6.58046 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.40468 7.16699 6.83186 13.3455 11.0597 6.84216 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.61183 14.3151 8.25818 16.0374 13.5399 8.23075 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.50939 8.58474 7.66068 14.6364 10.5019 7.61521 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.50229 7.92963 8.79979 5.68286 3.68023 7.69072 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.64921 4.15002 4.15789 8.0139 3.83059 5.25027 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.64921 9.36535 4.808 8.0139 3.83059 4.37025 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.00314 4.21164 4.18248 9.67557 8.37717 8.04242 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 6.38786 3.66518 4.3855 9.35213 9.14188 8.64905 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 6.42361 3.7035 3.82583 10.5027 7.06219 8.39897 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 6.42361 3.7035 3.82583 12.3033 6.04074 9.03078 numMergedOcc 0
11 mol 147 unq 2 iso 0 dist 7.4121 3.7035 5.19116 10.5027 4.19634 8.39897 numMergedOcc 0
12 mol 147 unq 3 iso 0 dist 7.4121 3.7035 5.19116 12.3033 6.24579 9.03078 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 5.64732 3.60864 5.86767 8.41715 3.42733 7.48734 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 5.64732 3.60864 5.86767 7.79893 6.57536 5.6125 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 5.52214 3.60864 5.28353 8.41715 8.91606 7.48734 numMergedOcc 0
16 mol 168 unq 3 iso 0 dist 5.52214 3.60864 5.28353 7.79893 4.07587 5.6125 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.22178 3.89477 7.93317 10.5979 3.62097 9.09354 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 6.35772 11.0751 9.54529 14.1645 8.68462 8.40074 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 7.74133 16.6916 9.9965 24.2116 18.7228 9.29666 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.07744 9.21484 7.98956 9.92831 14.2348 7.42932 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.07744 9.21484 7.98956 4.81916 7.75371 4.9764 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.07744 10.3506 5.86185 4.81916 7.75371 6.36559 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 8.42892 7.73174 7.98956 12.8086 14.2348 7.42932 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 8.42892 7.73174 7.98956 8.71406 7.75371 4.9764 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 8.42892 5.42115 5.86185 8.71406 7.75371 6.36559 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 8.90967 16.883 7.98956 22.7864 14.2348 7.42932 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 8.90967 16.883 7.98956 15.9035 7.75371 4.9764 numMergedOcc 0
28 mol 277 unq 8 iso 0 dist 8.90967 14.5363 5.86185 15.9035 7.75371 6.36559 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 5.55176 5.13698 4.68668 7.7743 3.65199 5.30118 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 5.55176 5.13698 4.68668 8.71506 5.70614 8.98698 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 5.55176 5.13698 4.68668 7.7743 3.65199 5.30118 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 5.55176 5.13698 4.68668 8.71506 5.70614 8.98698 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 5.55176 5.13698 4.68668 7.7743 3.65199 5.30118 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 5.55176 5.13698 4.68668 8.71506 5.70614 8.98698 numMergedOcc 0
