0 mol 28 unq 0 iso 0 dist 8.91922 7.431 9.74532 8.40467 9.71507 8.92334 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.79638 5.61871 8.53424 8.48456 9.64948 5.42412 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.79638 7.3517 7.08766 8.48456 9.64948 8.09862 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.79638 7.3517 7.08766 14.5877 10.1805 8.97167 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.79638 6.13016 4.82199 8.48456 9.64948 8.89114 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.79638 6.13016 4.82199 14.5877 10.1805 8.8182 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 6.42785 9.02992 8.53424 13.0211 9.64948 5.42412 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 6.42785 6.51048 7.08766 13.0211 9.64948 8.09862 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 6.42785 6.51048 7.08766 7.24073 10.1805 8.97167 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 6.42785 4.18951 4.82199 13.0211 9.64948 8.89114 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 6.42785 4.18951 4.82199 7.24073 10.1805 8.8182 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 5.75809 13.5265 8.53424 14.5796 9.64948 5.42412 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 5.75809 12.1819 7.08766 14.5796 9.64948 8.09862 numMergedOcc 0
13 mol 28 unq 13 iso 0 dist 5.75809 12.1819 7.08766 12.8275 10.1805 8.97167 numMergedOcc 0
14 mol 28 unq 14 iso 0 dist 5.75809 9.28235 4.82199 14.5796 9.64948 8.89114 numMergedOcc 0
15 mol 28 unq 15 iso 0 dist 5.75809 9.28235 4.82199 12.8275 10.1805 8.8182 numMergedOcc 0
16 mol 46 unq 0 iso 0 dist 7.23371 6.75911 3.77542 9.42516 6.81182 7.44805 numMergedOcc 0
17 mol 90 unq 0 iso 0 dist 8.96446 4.28396 5.24346 7.94379 6.65219 7.01987 numMergedOcc 0
18 mol 101 unq 0 iso 0 dist 6.54699 4.80201 8.19144 7.11476 6.43467 8.2549 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.382 7.67738 7.53342 4.56886 3.82317 7.34765 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 4.93944 4.49266 4.88514 8.5614 6.1672 5.28634 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 8.92048 6.68581 3.82583 9.61 3.7035 6.42361 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 8.92048 4.60169 5.19116 9.61 3.7035 7.4121 numMergedOcc 0
23 mol 147 unq 2 iso 0 dist 8.84926 13.164 8.25768 10.2988 3.20279 6.42361 numMergedOcc 0
24 mol 147 unq 3 iso 0 dist 8.84926 11.3679 8.71702 10.2988 3.20279 7.4121 numMergedOcc 0
25 mol 193 unq 0 iso 0 dist 6.10013 4.40965 8.30069 8.71993 4.8988 9.73679 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.531 6.81818 7.83056 12.5927 9.54951 9.80204 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 5.04072 7.27943 7.83056 13.4715 9.54951 9.80204 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 9.48261 4.35945 9.80479 10.054 5.38659 8.18379 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.29668 10.326 4.68668 9.24592 5.13698 5.55176 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 7.29668 10.326 4.68668 9.24592 5.13698 5.55176 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.29668 10.326 4.68668 9.24592 5.13698 5.55176 numMergedOcc 0
