0 mol 7 unq 0 iso 0 dist 9.85726 5.25379 6.7985 5.03532 6.44736 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.85726 5.03532 6.44736 5.25379 6.7985 6.14349 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.79478 5.15125 4.30695 10.9655 6.35398 7.0964 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 6.79478 10.9655 6.35398 5.15125 4.30695 7.0964 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 13.0288 8.44664 14.1496 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.90845 13.0288 8.44664 14.9821 8.60554 14.1496 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 18.8056 9.44691 9.62033 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.90845 18.8056 9.44691 14.9821 8.60554 9.62033 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.90845 13.0288 8.44664 18.8056 9.44691 10.4263 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 9.90845 18.8056 9.44691 13.0288 8.44664 10.4263 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 5.38191 5.33825 7.07339 6.51649 7.23317 4.69259 numMergedOcc 0
11 mol 54 unq 0 iso 1 dist 5.38191 6.51649 7.23317 5.33825 7.07339 4.69259 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.86724 6.04547 8.18107 5.97684 5.9465 9.38827 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 7.86724 5.97684 5.9465 6.04547 8.18107 9.38827 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 4.98104 9.52463 6.95572 6.07224 7.38677 6.36037 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 4.98104 6.07224 7.38677 9.52463 6.95572 6.36037 numMergedOcc 0
16 mol 108 unq 0 iso 0 dist 7.29462 4.70778 9.01852 11.386 9.75958 8.93829 numMergedOcc 0
17 mol 108 unq 0 iso 1 dist 7.29462 11.386 9.75958 4.70778 9.01852 8.93829 numMergedOcc 0
18 mol 108 unq 1 iso 0 dist 5.4057 6.76634 9.01852 6.17742 9.75958 8.93829 numMergedOcc 0
19 mol 108 unq 1 iso 1 dist 5.4057 6.17742 9.75958 6.76634 9.01852 8.93829 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 9.42766 13.1831 6.52773 6.34278 9.23858 12.3703 numMergedOcc 0
21 mol 119 unq 0 iso 1 dist 9.42766 6.34278 9.23858 13.1831 6.52773 12.3703 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 8.33083 10.4589 8.88537 7.09391 9.23819 5.03547 numMergedOcc 0
23 mol 122 unq 0 iso 1 dist 8.33083 7.09391 9.23819 10.4589 8.88537 5.03547 numMergedOcc 0
24 mol 125 unq 0 iso 0 dist 8.84867 11.7281 7.73435 14.8614 9.3778 4.38093 numMergedOcc 0
25 mol 125 unq 0 iso 1 dist 8.84867 14.8614 9.3778 11.7281 7.73435 4.38093 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 8.97145 4.17212 8.70296 13.6005 9.25558 14.5627 numMergedOcc 0
27 mol 131 unq 0 iso 1 dist 8.97145 13.6005 9.25558 4.17212 8.70296 14.5627 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 6.5874 9.64263 8.70296 5.55307 9.25558 14.5627 numMergedOcc 0
29 mol 131 unq 1 iso 1 dist 6.5874 5.55307 9.25558 9.64263 8.70296 14.5627 numMergedOcc 0
30 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 5.26692 7.90563 6.35752 numMergedOcc 0
31 mol 135 unq 0 iso 1 dist 6.5228 5.26692 7.90563 5.14857 5.62052 6.35752 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 8.76218 10.886 8.87569 11.8159 9.87122 4.17687 numMergedOcc 0
33 mol 174 unq 0 iso 1 dist 8.76218 11.8159 9.87122 10.886 8.87569 4.17687 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.44191 6.70394 6.46704 11.2787 6.59025 9.87773 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 7.44191 11.2787 6.59025 6.70394 6.46704 9.87773 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 6.00053 10.8517 6.46704 5.87168 6.59025 9.87773 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 6.00053 5.87168 6.59025 10.8517 6.46704 9.87773 numMergedOcc 0
38 mol 188 unq 0 iso 0 dist 9.24118 10.9086 7.14503 8.98299 8.10214 9.01338 numMergedOcc 0
39 mol 188 unq 0 iso 1 dist 9.24118 8.98299 8.10214 10.9086 7.14503 9.01338 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 7.32478 5.35575 8.29382 7.75447 6.72379 6.7294 numMergedOcc 0
41 mol 194 unq 0 iso 1 dist 7.32478 7.75447 6.72379 5.35575 8.29382 6.7294 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 9.48439 7.25062 8.29382 6.38935 6.72379 6.7294 numMergedOcc 0
43 mol 194 unq 1 iso 1 dist 9.48439 6.38935 6.72379 7.25062 8.29382 6.7294 numMergedOcc 0
44 mol 197 unq 0 iso 0 dist 8.64255 4.91904 7.50013 7.59634 5.81233 5.33623 numMergedOcc 0
45 mol 197 unq 0 iso 1 dist 8.64255 7.59634 5.81233 4.91904 7.50013 5.33623 numMergedOcc 0
46 mol 197 unq 1 iso 0 dist 8.64255 4.91904 7.50013 10.3181 6.92924 9.20574 numMergedOcc 0
47 mol 197 unq 1 iso 1 dist 8.64255 10.3181 6.92924 4.91904 7.50013 9.20574 numMergedOcc 0
48 mol 197 unq 2 iso 0 dist 8.64255 4.91904 7.50013 14.2718 7.14306 10.8407 numMergedOcc 0
49 mol 197 unq 2 iso 1 dist 8.64255 14.2718 7.14306 4.91904 7.50013 10.8407 numMergedOcc 0
50 mol 197 unq 1 iso 0 dist 8.64255 7.59634 5.81233 10.3181 6.92924 11.2132 numMergedOcc 0
51 mol 197 unq 1 iso 1 dist 8.64255 10.3181 6.92924 7.59634 5.81233 11.2132 numMergedOcc 0
52 mol 197 unq 2 iso 0 dist 8.64255 7.59634 5.81233 14.2718 7.14306 9.56047 numMergedOcc 0
53 mol 197 unq 2 iso 1 dist 8.64255 14.2718 7.14306 7.59634 5.81233 9.56047 numMergedOcc 0
54 mol 197 unq 2 iso 0 dist 8.64255 10.3181 6.92924 14.2718 7.14306 8.81358 numMergedOcc 0
55 mol 197 unq 2 iso 1 dist 8.64255 14.2718 7.14306 10.3181 6.92924 8.81358 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 5.75236 5.41321 11.362 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 9.17826 5.75236 5.41321 16.3489 7.43071 11.362 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 5.00515 6.63685 6.30154 10.6768 7.32499 10.0708 numMergedOcc 0
59 mol 234 unq 0 iso 1 dist 5.00515 10.6768 7.32499 6.63685 6.30154 10.0708 numMergedOcc 0
