0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 15.861 11.8172 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.85726 5.25379 6.7985 12.9476 9.0379 9.68596 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.72215 6.11915 6.02702 12.8863 11.8172 8.72114 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.45487 7.07501 7.18019 13.9525 10.9495 7.03958 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.45487 7.07501 7.18019 9.49106 8.4069 8.53529 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.45487 7.07501 7.18019 11.9557 6.23795 8.44009 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 8.47315 12.1062 6.72833 16.8248 10.4852 6.93532 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 8.33883 10.2885 6.93532 16.4381 10.4852 6.72833 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 9.90845 18.8056 9.44691 22.8598 14.6259 8.75662 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.84983 6.64072 5.93884 12.9335 5.30792 9.92355 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.84983 6.64072 5.93884 9.56737 4.81926 7.68678 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 9.56737 6.64072 7.68678 12.9335 5.35073 9.92355 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 9.56737 6.64072 7.68678 7.84983 4.81926 5.93884 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 7.86724 6.04547 8.18107 10.6665 5.04493 9.8859 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 7.86724 5.97684 5.9465 10.6665 5.04493 6.97962 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 7.86724 5.97684 5.9465 12.4378 9.35561 9.95342 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 11.7102 7.51619 7.23884 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 6.67936 10.6225 5.59328 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 9.59261 5.24592 5.78706 8.25817 12.7411 7.5242 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 9.59261 10.6225 5.78706 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.67936 5.24592 5.59328 11.7102 11.4338 7.23884 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 6.67936 5.24592 5.59328 8.25817 7.72877 7.5242 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 8.25817 5.24592 7.5242 9.59261 12.7411 5.78706 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 8.25817 5.24592 7.5242 11.7102 9.30161 7.23884 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 8.25817 5.24592 7.5242 6.67936 7.72877 5.59328 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 6.7225 6.39438 6.92026 10.2695 6.5838 5.88249 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 6.7225 6.39438 6.92026 13.1517 10.5564 6.97707 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 9.42766 13.1831 6.52773 13.6653 4.85907 9.11344 numMergedOcc 0
30 mol 125 unq 0 iso 0 dist 8.84867 11.7281 7.73435 13.8831 5.20403 8.76789 numMergedOcc 0
31 mol 125 unq 1 iso 0 dist 8.84867 14.8614 9.3778 13.8831 5.20403 9.08382 numMergedOcc 0
32 mol 125 unq 2 iso 0 dist 8.84867 14.8614 9.3778 19.5018 11.8325 7.47069 numMergedOcc 0
33 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 11.3273 4.5207 7.88805 numMergedOcc 0
34 mol 130 unq 1 iso 0 dist 8.54461 7.91054 8.78276 7.83619 8.38345 7.96646 numMergedOcc 0
35 mol 130 unq 2 iso 0 dist 8.54461 7.91054 8.78276 14.6047 10.5137 7.90048 numMergedOcc 0
36 mol 130 unq 3 iso 0 dist 7.83619 7.91054 7.96646 8.54461 8.38345 8.78276 numMergedOcc 0
37 mol 130 unq 4 iso 0 dist 7.83619 7.91054 7.96646 11.3273 10.0969 7.88805 numMergedOcc 0
38 mol 130 unq 5 iso 0 dist 7.83619 7.91054 7.96646 14.6047 10.7116 7.90048 numMergedOcc 0
39 mol 130 unq 6 iso 0 dist 9.91643 11.6197 7.96646 17.231 8.38345 8.78276 numMergedOcc 0
40 mol 130 unq 7 iso 0 dist 9.91643 11.6197 7.96646 16.8947 10.0969 7.88805 numMergedOcc 0
41 mol 130 unq 8 iso 0 dist 9.91643 11.6197 7.96646 12.9219 10.7116 7.90048 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 9.48243 11.7748 9.97654 11.0972 6.69554 6.66772 numMergedOcc 0
43 mol 133 unq 1 iso 0 dist 9.48243 11.7748 9.97654 14.1743 6.761 7.71248 numMergedOcc 0
44 mol 133 unq 2 iso 0 dist 6.11955 4.7146 5.87634 10.4171 7.81217 6.16242 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 7.78849 4.15314 5.83771 11.4625 5.79898 7.80532 numMergedOcc 0
46 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 10.9745 6.57193 7.85645 numMergedOcc 0
47 mol 135 unq 1 iso 0 dist 6.5228 5.26692 7.90563 10.9745 6.57193 8.97655 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 8.81169 4.1075 6.30021 10.3078 5.76755 9.47433 numMergedOcc 0
49 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 15.6936 10.2747 6.70531 numMergedOcc 0
50 mol 213 unq 0 iso 0 dist 4.58599 11.5146 8.14332 9.94786 5.45334 7.73322 numMergedOcc 0
51 mol 213 unq 1 iso 0 dist 8.78568 10.693 8.14332 13.5801 5.45334 7.73322 numMergedOcc 0
52 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 14.3079 5.16662 8.80683 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 13.0242 4.39704 6.02296 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 numMergedOcc 0
55 mol 231 unq 0 iso 0 dist 7.79865 7.00432 6.98875 6.14348 4.06055 6.54852 numMergedOcc 0
56 mol 231 unq 1 iso 0 dist 6.14348 7.00432 6.54852 7.79865 4.06055 6.98875 numMergedOcc 0
57 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 10.7398 8.31875 6.21292 numMergedOcc 0
58 mol 235 unq 1 iso 0 dist 9.71281 6.18998 6.36341 11.491 10.5547 9.21736 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 9.31417 16.7165 9.24557 15.7202 10.0191 7.57812 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 5.56719 11.9863 9.24557 11.1188 10.0191 7.57812 numMergedOcc 0
61 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 11.0836 5.3927 7.25858 numMergedOcc 0
62 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 13.0753 5.3927 7.25858 numMergedOcc 0
63 mol 258 unq 0 iso 0 dist 6.09782 8.01004 9.63959 15.1009 12.4198 9.96262 numMergedOcc 0
64 mol 258 unq 1 iso 0 dist 6.09782 8.01004 9.63959 12.9664 12.321 7.21311 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 13.8509 6.96053 7.98231 numMergedOcc 0
66 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 9.96963 5.96724 9.18157 numMergedOcc 0
67 mol 273 unq 1 iso 0 dist 7.89852 5.62662 9.18157 10.8195 5.96724 8.83865 numMergedOcc 0
68 mol 273 unq 2 iso 0 dist 9.96963 5.06747 9.18157 8.90885 5.96724 8.83865 numMergedOcc 0
69 mol 278 unq 0 iso 0 dist 9.82774 11.9007 8.00673 15.9748 8.29447 6.62841 numMergedOcc 0
70 mol 284 unq 0 iso 0 dist 8.27793 6.96183 9.33437 10.8451 5.87439 7.8343 numMergedOcc 0
