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CDEBRN.xaa.pdbqt_MODEL608.pdbqt_MODEL608_out.pdbqt
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MODEL 1
REMARK VINA RESULT: -8.9 0.000 0.000
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 172.539 173.906 226.075 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 171.744 172.677 226.104 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 171.961 171.804 227.078 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 171.261 170.639 227.169 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 170.281 170.363 226.197 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 169.517 169.187 226.221 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 168.583 168.977 225.251 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 168.376 169.911 224.237 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 169.100 171.063 224.184 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.071 171.315 225.166 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 170.844 172.487 225.167 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 169.754 175.953 227.596 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 170.456 176.999 228.167 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 171.833 177.046 228.063 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 172.511 176.045 227.385 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 171.805 174.996 226.812 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 173.865 176.090 227.281 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.430 174.950 226.924 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 167.602 176.788 227.216 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 168.279 175.904 227.709 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 167.743 174.978 228.291 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 2
REMARK VINA RESULT: -8.4 3.245 6.772
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 171.099 171.666 224.170 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 171.396 172.692 225.172 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 170.451 173.024 226.041 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 170.654 173.969 226.999 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 171.906 174.607 227.063 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 172.197 175.590 228.020 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 173.429 176.172 228.030 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 174.404 175.806 227.104 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 174.157 174.855 226.161 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 172.899 174.233 226.120 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 172.588 173.242 225.175 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 170.306 168.727 226.403 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 169.009 168.429 226.025 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 168.386 169.179 225.046 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 169.061 170.229 224.442 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 170.362 170.525 224.824 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 168.450 170.967 223.479 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.979 169.777 225.807 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 171.620 166.938 227.145 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 170.971 167.922 227.453 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 170.875 168.247 228.622 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 3
REMARK VINA RESULT: -8.1 2.789 6.029
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 172.715 172.117 225.261 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.690 173.274 226.159 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 173.658 173.402 227.055 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 173.700 174.451 227.924 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 172.683 175.421 227.860 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 172.654 176.530 228.717 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 171.642 177.436 228.606 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 170.636 177.276 227.654 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 170.632 176.211 226.806 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 171.660 175.258 226.890 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 171.713 174.142 226.039 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 169.630 170.179 226.252 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 168.833 170.330 225.132 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 169.290 171.060 224.052 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 170.548 171.641 224.090 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 171.347 171.487 225.215 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 171.000 172.359 223.029 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.884 170.762 226.294 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 169.773 168.436 227.807 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 169.138 169.397 227.408 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 168.103 169.717 227.964 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 4
REMARK VINA RESULT: -8.0 3.164 4.437
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 173.826 171.549 227.306 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.522 171.201 226.736 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 171.727 170.389 227.421 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 170.502 170.021 226.954 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 170.076 170.521 225.710 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 168.828 170.192 225.160 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 168.472 170.708 223.951 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 169.328 171.558 223.252 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 170.546 171.899 223.756 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.947 171.388 225.000 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 172.188 171.708 225.573 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 175.180 174.493 225.368 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 174.843 175.550 226.194 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 174.175 175.315 227.380 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 173.845 174.019 227.744 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 174.185 172.959 226.914 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 173.189 173.785 228.911 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 174.846 173.200 225.727 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 175.682 174.042 223.128 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 175.895 174.748 224.097 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 176.691 175.666 224.020 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 5
REMARK VINA RESULT: -7.8 3.465 4.704
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 174.201 171.007 227.362 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.989 170.474 226.736 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 172.944 170.389 225.413 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 171.851 169.905 224.761 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 170.743 169.485 225.519 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 169.581 168.973 224.925 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 168.541 168.583 225.714 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 168.615 168.684 227.102 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 169.728 169.176 227.713 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.820 169.587 226.933 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 171.996 170.097 227.506 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 175.156 174.177 225.547 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 174.613 175.146 226.371 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 173.935 174.778 227.517 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 173.800 173.437 227.842 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 174.346 172.466 227.013 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 173.134 173.072 228.969 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 175.017 172.839 225.866 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 176.721 175.455 224.367 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 175.881 174.574 224.319 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 175.642 174.017 223.263 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 6
REMARK VINA RESULT: -7.8 3.172 6.229
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 172.705 170.316 226.913 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.717 171.701 227.389 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 173.541 172.026 228.375 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 173.606 173.293 228.870 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 172.772 174.279 228.312 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 172.779 175.607 228.764 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 171.947 176.516 228.183 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 171.089 176.147 227.148 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 171.056 174.867 226.685 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 171.900 173.903 227.258 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 171.914 172.569 226.819 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 169.211 169.429 225.790 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 168.692 168.840 226.928 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 169.470 168.726 228.064 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 170.772 169.204 228.062 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 171.290 169.796 226.918 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 171.539 169.094 229.178 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.510 169.902 225.784 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 167.821 168.565 224.117 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 168.375 169.550 224.574 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 168.235 170.632 224.035 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 7
REMARK VINA RESULT: -7.8 3.322 6.444
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 172.843 170.130 228.689 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 173.453 171.231 227.939 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 174.206 170.942 226.887 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 174.806 171.913 226.144 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 174.614 173.258 226.509 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 175.195 174.316 225.794 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 174.972 175.598 226.198 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 174.176 175.874 227.309 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 173.597 174.871 228.025 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 173.803 173.537 227.639 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 173.227 172.462 228.335 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 169.664 169.890 226.666 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 169.570 168.527 226.453 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 170.536 167.680 226.962 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 171.598 168.196 227.688 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 171.690 169.565 227.901 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 172.548 167.365 228.190 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.726 170.408 227.385 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 168.381 170.786 224.927 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 168.629 170.796 226.120 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 168.021 171.545 226.862 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 8
REMARK VINA RESULT: -7.7 2.733 6.022
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 172.642 172.238 225.270 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.654 173.389 226.177 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 173.645 173.497 227.052 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 173.721 174.538 227.927 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 172.717 175.522 227.894 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 172.724 176.625 228.759 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 171.722 177.546 228.679 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 170.692 177.407 227.750 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 170.654 176.348 226.895 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 171.669 175.381 226.947 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 171.687 174.271 226.087 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 170.019 170.078 226.916 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 170.737 168.929 227.194 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 172.072 168.848 226.850 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 172.693 169.920 226.226 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 171.971 171.072 225.949 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 174.007 169.842 225.887 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 170.635 171.146 226.289 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 168.052 169.228 227.856 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 168.588 170.162 227.286 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 167.950 171.165 227.026 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 9
REMARK VINA RESULT: -7.7 2.391 3.218
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 173.236 171.263 228.246 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 172.158 170.585 227.521 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 171.913 169.311 227.796 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 170.928 168.616 227.162 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 170.154 169.276 226.190 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 169.121 168.632 225.494 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 168.407 169.325 224.564 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 168.687 170.664 224.294 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 169.683 171.321 224.951 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.439 170.639 225.917 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 171.474 171.265 226.631 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 173.194 174.964 227.499 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 174.035 175.038 226.403 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 174.619 173.891 225.902 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 174.362 172.665 226.497 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 173.517 172.594 227.596 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 174.936 171.536 226.005 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 172.940 173.743 228.097 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 171.726 176.783 227.380 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 172.569 176.194 228.034 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 172.893 176.615 229.130 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL
MODEL 10
REMARK VINA RESULT: -7.6 4.441 7.867
REMARK Name = ZINC000409415746
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C LIG 1 173.192 174.173 226.033 0.00 0.00 +0.380 C
ENDROOT
BRANCH 1 2
ATOM 2 N LIG 1 174.305 174.812 225.328 0.00 0.00 -0.330 N
ATOM 3 C LIG 1 174.382 174.677 224.011 0.00 0.00 +0.250 A
ATOM 4 C LIG 1 175.389 175.242 223.288 0.00 0.00 +0.090 A
ATOM 5 C LIG 1 176.370 175.989 223.966 0.00 0.00 +0.000 A
ATOM 6 C LIG 1 177.437 176.604 223.295 0.00 0.00 +0.030 A
ATOM 7 C LIG 1 178.356 177.314 224.008 0.00 0.00 +0.080 A
ATOM 8 C LIG 1 178.251 177.439 225.393 0.00 0.00 +0.050 A
ATOM 9 C LIG 1 177.228 176.856 226.076 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 176.261 176.117 225.375 0.00 0.00 -0.100 A
ATOM 11 C LIG 1 175.181 175.498 226.024 0.00 0.00 +0.450 A
ENDBRANCH 1 2
BRANCH 1 16
ATOM 12 C LIG 1 174.819 170.978 227.220 0.00 0.00 -0.170 A
ATOM 13 C LIG 1 174.707 171.100 228.593 0.00 0.00 +0.140 A
ATOM 14 C LIG 1 174.106 172.217 229.140 0.00 0.00 -0.100 A
ATOM 15 C LIG 1 173.613 173.215 228.313 0.00 0.00 +0.320 A
ATOM 16 C LIG 1 173.726 173.090 226.935 0.00 0.00 -0.300 A
ATOM 17 O LIG 1 173.021 174.314 228.850 0.00 0.00 -0.680 OA
ATOM 18 C LIG 1 174.333 171.975 226.393 0.00 0.00 +0.160 A
BRANCH 12 20
ATOM 19 O LIG 1 174.890 169.142 225.772 0.00 0.00 -0.210 OA
ATOM 20 N LIG 1 175.464 169.781 226.635 0.00 0.00 +0.060 N
ATOM 21 O LIG 1 176.570 169.440 227.013 0.00 0.00 -0.200 OA
ENDBRANCH 12 20
ENDBRANCH 1 16
TORSDOF 3
ENDMDL