0 mol 16 unq 0 iso 0 dist 9.15471 5.61445 9.30471 8.82587 6.88552 5.05803 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.65828 4.52042 9.80897 10.9309 12.8257 8.34347 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 4.50643 4.30086 7.78892 12.4634 13.4993 9.24927 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 15.7652 14.0204 8.80331 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.67459 9.69698 8.03754 15.8918 13.1056 6.20293 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.88969 8.50779 9.75265 7.98444 5.03467 8.95999 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.45684 11.6779 8.75668 11.8671 7.26966 9.67592 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 7.76644 10.1207 8.75668 10.9973 7.26966 9.67592 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.66362 11.1155 9.74802 11.2717 5.43139 9.65964 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 10.9082 9.59988 6.19304 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.7939 10.3774 7.23812 8.16299 7.80518 8.70481 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 8.44695 12.6626 7.23812 17.327 9.59988 6.19304 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 8.44695 12.6626 7.23812 8.27015 7.80518 8.70481 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 5.68894 9.64124 7.23812 11.801 9.59988 6.19304 numMergedOcc 0
17 mol 73 unq 8 iso 0 dist 5.68894 9.64124 7.23812 12.2721 7.80518 8.70481 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.93145 9.14798 6.96759 16.1633 13.8905 7.79912 numMergedOcc 0
19 mol 75 unq 1 iso 0 dist 7.93145 9.14798 6.96759 17.6145 12.899 8.56639 numMergedOcc 0
20 mol 75 unq 2 iso 0 dist 7.93145 9.14798 6.96759 15.3522 8.41332 8.59017 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 7.26325 6.65856 6.42706 6.23966 5.12351 5.83384 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.92836 14.5299 9.47554 10.1767 5.34829 7.11802 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 5.92836 14.5299 9.47554 11.6202 9.67676 8.00618 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 9.82274 15.3123 9.1146 19.9663 11.0256 7.11802 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 9.02712 10.4303 9.1146 15.5187 11.0256 7.11802 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 15.3848 13.1435 8.56324 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 9.27341 9.50073 8.41774 16.0158 11.2124 7.16148 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 9.23669 15.0515 9.44947 18.9597 10.5243 7.10633 numMergedOcc 0
30 mol 204 unq 1 iso 0 dist 9.23669 15.0515 9.44947 15.8109 10.2677 8.51516 numMergedOcc 0
31 mol 209 unq 0 iso 0 dist 8.8886 11.2558 9.62543 10.795 8.42394 7.56373 numMergedOcc 0
32 mol 209 unq 1 iso 0 dist 8.78565 12.9345 9.62543 14.4808 8.42394 7.56373 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 9.57625 13.0808 5.39218 20.4393 13.3213 9.23153 numMergedOcc 0
34 mol 220 unq 1 iso 0 dist 9.57625 13.0808 5.39218 20.5878 11.4842 8.24498 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 8.7419 4.81992 6.00706 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 7.99609 5.01062 7.73634 8.5834 9.69122 7.54212 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.96263 11.9904 7.49783 10.9817 12.8561 8.95269 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 6.86281 6.23084 8.68804 5.00457 6.36273 9.06952 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 7.75366 10.1036 4.80834 13.6759 7.04671 5.72887 numMergedOcc 0
40 mol 248 unq 0 iso 0 dist 7.51278 5.68749 8.98788 12.7933 9.01779 9.56569 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 10.7821 8.81588 6.60405 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 8.73425 5.13233 9.04358 8.21585 5.90131 6.42289 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 7.3406 9.20564 9.77784 10.5044 5.09097 7.73141 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 7.3406 4.69366 5.00128 12.5834 9.40373 8.02547 numMergedOcc 0
45 mol 261 unq 2 iso 0 dist 7.3406 4.69366 5.00128 10.5044 5.09097 8.43057 numMergedOcc 0
46 mol 261 unq 3 iso 0 dist 7.3406 4.69366 5.00128 9.91632 4.86901 6.05727 numMergedOcc 0
47 mol 261 unq 4 iso 0 dist 9.15672 4.69366 6.58604 12.5834 10.3517 8.02547 numMergedOcc 0
48 mol 261 unq 5 iso 0 dist 9.15672 4.69366 6.58604 10.5044 11.9784 8.43057 numMergedOcc 0
49 mol 261 unq 6 iso 0 dist 9.15672 4.69366 6.58604 9.91632 9.47323 6.05727 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 7.85797 6.69098 9.37841 13.6003 9.71586 9.01049 numMergedOcc 0
51 mol 276 unq 0 iso 0 dist 5.54217 6.02816 8.15803 13.8479 11.2406 9.8993 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 6.38295 8.30978 5.41639 8.80588 8.26589 6.53701 numMergedOcc 0
53 mol 280 unq 1 iso 0 dist 6.38295 5.80223 7.96485 8.80588 8.26589 6.0664 numMergedOcc 0
