0 mol 28 unq 0 iso 0 dist 8.71168 7.82759 12.3025 12.7911 12.5879 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.40467 8.91922 9.71507 7.431 8.92334 9.74532 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.48456 8.79638 9.64948 5.61871 5.42412 8.53424 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.48456 8.79638 9.64948 7.3517 8.09862 7.08766 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.48456 8.79638 9.64948 6.13016 8.89114 4.82199 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.24073 6.42785 10.1805 9.02992 12.664 8.53424 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 7.24073 6.42785 10.1805 6.51048 8.97167 7.08766 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 7.24073 6.42785 10.1805 4.18951 8.8182 4.82199 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 8.24422 5.75809 8.89273 13.5265 16.9644 8.53424 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 8.24422 5.75809 8.89273 12.1819 14.7676 7.08766 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 8.24422 5.75809 8.89273 9.28235 13.0428 4.82199 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 8.99724 5.75809 8.10455 13.5265 15.1706 8.53424 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 8.99724 5.75809 8.10455 12.1819 14.1709 7.08766 numMergedOcc 0
13 mol 28 unq 13 iso 0 dist 8.99724 5.75809 8.10455 9.28235 12.7139 4.82199 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 8.87951 7.32699 5.81633 9.58381 10.5189 9.05737 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 7.94379 8.96446 6.65219 4.28396 7.01987 5.24346 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.20236 5.85622 14.7898 8.09756 14.7805 6.5816 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 7.11476 6.54699 6.43467 4.80201 8.2549 8.19144 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 4.56886 7.382 3.82317 7.67738 7.34765 7.53342 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.49584 7.57472 15.0685 9.45125 17.0999 4.88514 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 8.5614 4.93944 6.1672 4.49266 5.28634 4.88514 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.61 8.92048 3.7035 6.68581 6.42361 3.82583 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 9.61 8.92048 3.7035 4.60169 7.4121 5.19116 numMergedOcc 0
23 mol 151 unq 0 iso 0 dist 7.93343 8.16646 8.30893 16.5297 13.9223 9.37533 numMergedOcc 0
24 mol 151 unq 1 iso 0 dist 5.89468 8.16646 10.4799 16.5297 17.9192 9.37533 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 9.08686 5.78626 3.86041 7.39668 11.6033 7.97228 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 8.71993 6.10013 4.8988 4.40965 9.73679 8.30069 numMergedOcc 0
27 mol 193 unq 1 iso 0 dist 8.71993 6.10013 4.8988 6.04442 12.0533 8.83551 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 4.42112 8.64187 5.87171 9.83742 9.48257 9.71831 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 9.53639 5.22629 4.93324 6.44449 12.5502 7.83831 numMergedOcc 0
30 mol 233 unq 1 iso 0 dist 8.81929 9.48261 5.16471 4.35945 10.0627 9.80479 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 8.1195 7.6142 13.8942 3.64536 11.0672 4.55853 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 6.53354 9.33601 9.76279 11.6748 14.9484 7.31132 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 6.93798 9.33601 7.97597 11.6748 12.8647 7.31132 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
37 mol 291 unq 0 iso 0 dist 9.20449 7.02207 12.4309 9.16979 18.2117 8.95881 numMergedOcc 0
