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CDEBRN.xaa.pdbqt_MODEL1636.pdbqt_MODEL1636_out.pdbqt
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MODEL 1
REMARK VINA RESULT: -9.0 0.000 0.000
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 171.332 166.938 227.374 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 170.930 167.878 226.716 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 169.841 167.886 225.928 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 169.254 167.125 225.801 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 169.664 169.123 225.315 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 168.694 169.585 224.435 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 168.747 170.882 223.964 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 169.762 171.736 224.361 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 170.736 171.294 225.236 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.691 169.989 225.715 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 171.551 169.221 226.644 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 172.626 169.637 227.264 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 173.004 170.983 227.185 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 172.416 171.900 228.008 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 172.712 173.163 227.993 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 173.645 173.666 227.145 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 173.964 175.024 227.130 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 174.917 175.492 226.252 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 175.566 174.629 225.380 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 175.267 173.283 225.376 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 174.307 172.789 226.255 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 173.953 171.364 226.298 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 174.489 170.556 225.562 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 2
REMARK VINA RESULT: -8.5 2.367 3.532
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 168.208 169.053 224.348 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 169.114 169.011 225.156 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 169.486 167.939 225.876 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 169.057 167.070 225.822 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 170.561 168.231 226.709 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 171.267 167.448 227.614 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 172.314 167.991 228.331 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 172.675 169.316 228.160 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 171.985 170.111 227.265 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 170.928 169.573 226.538 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 170.010 170.133 225.520 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 169.992 171.354 225.047 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 170.998 172.259 225.406 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 172.176 172.271 224.716 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 173.153 173.080 224.989 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 173.069 173.984 225.998 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 174.120 174.852 226.291 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 173.992 175.756 227.325 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 172.829 175.812 228.080 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 171.777 174.963 227.809 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 171.885 174.043 226.769 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 170.794 173.118 226.432 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 169.748 173.122 227.054 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 3
REMARK VINA RESULT: -8.4 2.234 6.269
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 176.007 174.163 225.407 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 174.900 174.404 225.850 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 174.559 175.470 226.593 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 175.176 176.170 226.858 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 173.211 175.442 226.935 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 172.430 176.319 227.679 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 171.089 176.056 227.876 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 170.506 174.921 227.337 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 171.267 174.038 226.595 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 172.618 174.295 226.392 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 173.687 173.577 225.660 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 173.583 172.454 224.994 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 172.325 171.866 224.806 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 171.425 172.450 223.962 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 170.243 171.965 223.736 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 169.815 170.824 224.333 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 168.544 170.304 224.090 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 168.149 169.142 224.717 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 169.001 168.482 225.592 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 170.262 168.978 225.849 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 170.681 170.150 225.224 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 172.015 170.721 225.456 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 172.809 170.186 226.208 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 4
REMARK VINA RESULT: -8.4 2.050 6.252
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 176.157 173.832 224.046 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 175.399 174.079 224.964 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 175.333 175.234 225.648 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 175.897 176.004 225.474 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 174.355 175.186 226.636 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 173.939 176.128 227.569 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 172.927 175.823 228.457 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 172.315 174.582 228.432 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 172.716 173.632 227.511 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 173.734 173.930 226.613 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 174.381 173.162 225.523 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 174.113 171.938 225.141 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 173.024 171.255 225.697 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 173.178 170.578 226.873 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 172.217 169.923 227.448 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 170.972 169.866 226.910 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 169.940 169.161 227.530 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 168.690 169.129 226.949 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 168.445 169.789 225.754 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 169.449 170.491 225.122 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 170.719 170.537 225.693 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 171.826 171.274 225.067 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 171.673 171.877 224.021 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 5
REMARK VINA RESULT: -8.3 26.255 29.509
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 191.133 189.730 224.024 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 191.997 189.025 224.509 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 192.047 187.683 224.455 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 191.384 187.130 224.015 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 193.170 187.189 225.111 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 193.626 185.891 225.308 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 194.794 185.666 226.010 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 195.524 186.724 226.524 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 195.085 188.021 226.338 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 193.911 188.257 225.633 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 193.185 189.493 225.259 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 193.518 190.729 225.534 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 194.749 191.003 226.145 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 195.864 191.167 225.375 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 197.038 191.423 225.868 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 197.237 191.547 227.205 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 198.499 191.822 227.733 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 198.657 191.940 229.097 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 197.576 191.788 229.954 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 196.320 191.515 229.455 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 196.138 191.392 228.079 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 194.822 191.108 227.493 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 193.834 190.969 228.191 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 6
REMARK VINA RESULT: -8.0 2.329 3.929
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 170.351 167.711 226.576 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 171.463 167.984 226.985 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 172.313 167.138 227.591 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 172.121 166.205 227.768 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 173.504 167.772 227.933 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 174.650 167.303 228.563 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 175.713 168.153 228.790 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 175.654 169.479 228.395 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 174.522 169.963 227.768 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 173.446 169.114 227.535 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 172.123 169.306 226.898 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 171.641 170.406 226.375 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 172.454 171.540 226.259 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 173.358 171.624 225.240 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 174.144 172.642 225.067 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 174.119 173.712 225.903 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 174.964 174.805 225.717 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 174.905 175.871 226.589 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 174.015 175.869 227.654 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 173.170 174.799 227.859 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 173.213 173.713 226.988 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 172.333 172.548 227.155 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 171.528 172.489 228.066 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 7
REMARK VINA RESULT: -8.0 2.448 2.918
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 175.616 166.736 227.667 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 174.511 167.243 227.647 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 173.340 166.589 227.568 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 173.257 165.624 227.516 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 172.264 167.470 227.567 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 170.893 167.251 227.502 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 170.019 168.320 227.518 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 170.493 169.618 227.600 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 171.852 169.855 227.666 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 172.740 168.785 227.650 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 174.217 168.693 227.711 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 175.075 169.678 227.800 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 174.619 170.990 227.982 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 174.205 171.397 229.217 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 173.770 172.594 229.464 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 173.698 173.540 228.493 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 173.230 174.827 228.759 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 173.174 175.757 227.743 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 173.576 175.428 226.456 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 174.040 174.163 226.169 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 174.106 173.208 227.181 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 174.598 171.846 226.934 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 174.969 171.498 225.828 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 8
REMARK VINA RESULT: -7.8 3.163 5.523
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 169.063 171.372 225.765 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 170.043 171.749 226.376 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 170.382 173.027 226.619 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 169.866 173.794 226.323 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 171.565 173.112 227.346 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 172.282 174.205 227.817 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 173.451 174.013 228.527 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 173.922 172.737 228.780 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 173.222 171.637 228.320 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 172.044 171.820 227.604 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 171.075 170.883 226.991 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 171.121 169.574 226.990 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 172.103 168.909 227.734 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 171.914 168.696 229.069 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 172.777 168.087 229.823 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 173.947 167.611 229.326 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 174.874 166.957 230.137 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 176.049 166.489 229.590 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 176.324 166.662 228.241 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 175.424 167.306 227.420 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 174.229 167.786 227.952 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 173.231 168.475 227.123 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 173.411 168.653 225.932 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 9
REMARK VINA RESULT: -7.6 2.795 5.913
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 170.237 174.526 227.548 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 171.369 174.347 227.142 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 172.232 175.301 226.753 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 172.034 176.250 226.757 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 173.444 174.755 226.343 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 174.609 175.346 225.869 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 175.692 174.563 225.523 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 175.635 173.185 225.643 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 174.485 172.580 226.112 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 173.389 173.360 226.463 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 172.043 173.037 226.991 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 171.555 171.853 227.263 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 172.378 170.722 227.185 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 172.427 169.999 226.029 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 173.165 168.942 225.881 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 173.952 168.476 226.884 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 174.745 167.340 226.723 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 175.531 166.902 227.768 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 175.542 167.578 228.980 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 174.766 168.703 229.163 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 173.966 169.162 228.119 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 173.124 170.359 228.256 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 173.094 170.997 229.291 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL
MODEL 10
REMARK VINA RESULT: -7.6 3.412 5.698
REMARK Name = ZINC000003169087
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 O LIG 1 170.204 170.445 224.906 0.00 0.00 -0.450 OA
ATOM 2 C LIG 1 170.977 170.948 225.698 0.00 0.00 +0.590 C
ATOM 3 N LIG 1 170.838 172.148 226.288 0.00 0.00 -0.650 N
ATOM 4 H LIG 1 170.090 172.747 226.136 0.00 0.00 +0.430 HD
ATOM 5 C LIG 1 171.901 172.422 227.141 0.00 0.00 +0.180 A
ATOM 6 C LIG 1 172.178 173.520 227.947 0.00 0.00 +0.000 A
ATOM 7 C LIG 1 173.326 173.546 228.713 0.00 0.00 +0.090 A
ATOM 8 C LIG 1 174.213 172.483 228.692 0.00 0.00 +0.000 A
ATOM 9 C LIG 1 173.955 171.383 227.897 0.00 0.00 +0.090 A
ATOM 10 C LIG 1 172.802 171.348 227.121 0.00 0.00 -0.190 A
ATOM 11 C LIG 1 172.236 170.345 226.189 0.00 0.00 +0.150 C
ATOM 12 N LIG 1 172.742 169.181 225.868 0.00 0.00 -0.160 NA
ENDROOT
BRANCH 12 13
ATOM 13 N LIG 1 173.883 168.707 226.528 0.00 0.00 -0.420 N
ATOM 14 C LIG 1 175.121 169.092 226.101 0.00 0.00 +0.570 A
ATOM 15 N LIG 1 176.222 168.696 226.661 0.00 0.00 -0.500 NA
ATOM 16 C LIG 1 176.217 167.857 227.729 0.00 0.00 +0.140 A
ATOM 17 C LIG 1 177.401 167.432 228.330 0.00 0.00 +0.040 A
ATOM 18 C LIG 1 177.350 166.581 229.413 0.00 0.00 +0.070 A
ATOM 19 C LIG 1 176.134 166.140 229.913 0.00 0.00 +0.010 A
ATOM 20 C LIG 1 174.950 166.545 229.335 0.00 0.00 +0.100 A
ATOM 21 C LIG 1 174.979 167.406 228.240 0.00 0.00 -0.190 A
ATOM 22 C LIG 1 173.749 167.876 227.588 0.00 0.00 +0.550 A
ATOM 23 O LIG 1 172.651 167.528 227.983 0.00 0.00 -0.490 OA
ENDBRANCH 12 13
TORSDOF 1
ENDMDL