0 mol 10 unq 0 iso 0 dist 8.98746 4.75564 6.77807 9.94602 8.7908 8.56896 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.79638 14.8033 9.2146 5.61871 8.53424 16.4255 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.79638 14.8033 9.2146 7.3517 7.08766 16.0765 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.79638 14.8033 9.2146 6.13016 4.82199 13.6412 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.42785 14.2352 9.2146 9.02992 8.53424 16.4255 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 6.42785 14.2352 9.2146 6.51048 7.08766 16.0765 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 6.42785 14.2352 9.2146 4.18951 4.82199 13.6412 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 5.75809 6.51818 9.2146 13.5265 8.53424 16.4255 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 5.75809 6.51818 9.2146 12.1819 7.08766 16.0765 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 5.75809 6.51818 9.2146 9.28235 4.82199 13.6412 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 8.99393 6.97552 5.4713 6.95897 3.77542 6.08836 numMergedOcc 0
11 mol 46 unq 1 iso 0 dist 8.99393 6.97552 5.4713 12.41 9.97314 14.1986 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 8.96446 8.53951 7.62463 4.28396 5.24346 5.4118 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 6.54699 10.7386 9.33112 4.80201 8.19144 7.5541 numMergedOcc 0
14 mol 107 unq 0 iso 0 dist 9.4238 10.1677 5.31375 17.9309 8.88124 9.65216 numMergedOcc 0
15 mol 107 unq 1 iso 0 dist 9.4238 10.1677 5.31375 8.0395 8.19484 8.32169 numMergedOcc 0
16 mol 107 unq 2 iso 0 dist 9.4238 10.1326 6.49371 17.9309 8.88124 10.4294 numMergedOcc 0
17 mol 107 unq 3 iso 0 dist 9.4238 10.1326 6.49371 8.0395 8.19484 3.40943 numMergedOcc 0
18 mol 116 unq 0 iso 0 dist 8.0237 7.97496 7.54274 4.58282 6.55227 3.43966 numMergedOcc 0
19 mol 116 unq 1 iso 0 dist 7.70636 10.5814 9.87354 4.13866 6.55227 6.51576 numMergedOcc 0
20 mol 116 unq 2 iso 0 dist 6.82267 15.5585 9.87354 10.1108 6.55227 6.51576 numMergedOcc 0
21 mol 123 unq 0 iso 0 dist 8.0933 6.95141 4.14492 9.43573 5.56127 8.42496 numMergedOcc 0
22 mol 123 unq 1 iso 0 dist 8.0933 6.95141 4.14492 9.39224 8.03692 10.3919 numMergedOcc 0
23 mol 123 unq 2 iso 0 dist 8.0933 6.95141 4.14492 9.35902 5.36214 3.3389 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 8.41675 5.36267 8.49847 4.86046 7.53342 6.95147 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 8.92048 4.21146 7.7464 6.68581 3.82583 5.19008 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 8.92048 4.21146 7.7464 4.60169 5.19116 5.27556 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 8.92048 8.49014 5.12272 6.68581 3.82583 3.7729 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 8.92048 8.49014 5.12272 4.60169 5.19116 6.34165 numMergedOcc 0
29 mol 147 unq 4 iso 0 dist 8.84926 14.8893 8.7121 13.164 8.25768 3.7729 numMergedOcc 0
30 mol 147 unq 5 iso 0 dist 8.84926 14.8893 8.7121 11.3679 8.71702 6.34165 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 5.78626 10.6766 9.44964 7.39668 7.97228 5.70869 numMergedOcc 0
32 mol 158 unq 1 iso 0 dist 9.8417 9.34897 9.44964 4.54069 7.97228 5.70869 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 7.26295 11.023 4.45769 3.64489 5.10542 9.23342 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 7.26295 12.3736 8.99961 3.64489 5.10542 11.7699 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 7.31316 11.023 5.89939 3.64489 4.68722 9.23342 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 7.31316 11.023 5.89939 9.00349 5.18325 10.3782 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 7.31316 12.3736 8.18853 3.64489 4.68722 11.7699 numMergedOcc 0
38 mol 194 unq 5 iso 0 dist 7.31316 12.3736 8.18853 9.00349 5.18325 13.0759 numMergedOcc 0
39 mol 194 unq 6 iso 0 dist 8.9865 9.72284 5.89939 13.481 4.68722 9.23342 numMergedOcc 0
40 mol 194 unq 7 iso 0 dist 8.9865 9.72284 5.89939 11.1547 5.18325 10.3782 numMergedOcc 0
41 mol 194 unq 8 iso 0 dist 8.9865 8.10284 8.18853 13.481 4.68722 11.7699 numMergedOcc 0
42 mol 194 unq 9 iso 0 dist 8.9865 8.10284 8.18853 11.1547 5.18325 13.0759 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 9.531 4.88526 6.31365 6.81818 7.83056 3.52598 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 5.04072 4.8189 6.31365 7.27943 7.83056 3.52598 numMergedOcc 0
45 mol 256 unq 0 iso 0 dist 8.3597 5.01478 7.32564 4.99652 5.58222 4.96861 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 8.38399 13.1313 7.73438 12.0007 5.88958 10.5542 numMergedOcc 0
47 mol 285 unq 1 iso 0 dist 8.38399 13.1313 7.73438 15.0759 7.78121 12.5361 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 9.57637 8.58414 4.93516 11.8739 4.68668 3.66473 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 9.57637 8.58414 4.93516 11.8739 4.68668 3.66473 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 9.57637 8.58414 4.93516 11.8739 4.68668 3.66473 numMergedOcc 0
