REMARK Name = BDB057489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.859 -0.810 -0.539 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.116 0.885 -0.832 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.091 1.584 -0.192 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.190 1.037 -0.091 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.465 -0.224 -0.633 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.566 -0.922 -1.274 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.848 -0.371 -1.374 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.318 1.536 -0.861 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.416 0.856 -1.477 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 5.661 1.737 -1.379 0.00 0.00 +0.097 C BRANCH 10 13 ATOM 11 C LIG 1 4.881 3.490 1.255 0.00 0.00 +0.053 C ATOM 12 C LIG 1 5.937 2.454 1.092 0.00 0.00 +0.010 A ATOM 13 C LIG 1 6.279 1.698 -0.015 0.00 0.00 +0.055 A ATOM 14 N LIG 1 7.318 0.803 0.195 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 7.758 0.866 1.438 0.00 0.00 +0.109 A ATOM 16 S LIG 1 6.932 2.020 2.415 0.00 0.00 -0.072 S BRANCH 15 17 ATOM 17 C LIG 1 8.865 0.035 1.961 0.00 0.00 +0.007 A ATOM 18 C LIG 1 9.257 0.021 3.310 0.00 0.00 +0.010 A ATOM 19 C LIG 1 10.314 -0.788 3.746 0.00 0.00 +0.001 A ATOM 20 C LIG 1 10.996 -1.597 2.842 0.00 0.00 +0.000 A ATOM 21 C LIG 1 10.623 -1.602 1.502 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.568 -0.794 1.068 0.00 0.00 +0.010 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.819 -0.242 -1.600 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.673 -0.808 -3.017 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -3.137 -0.311 -4.035 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -2.006 -1.977 -3.110 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -2.066 -2.183 -4.067 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.225 -0.251 -1.125 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.730 0.560 -1.519 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.081 -1.359 -1.160 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -6.482 -1.171 -1.039 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -7.372 -2.259 -1.031 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.882 -3.558 -1.082 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.509 -3.769 -1.138 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.624 -2.683 -1.165 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -7.043 0.205 -0.964 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -6.610 1.074 -1.720 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -8.108 0.550 0.013 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -9.020 1.560 -0.320 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -10.029 1.915 0.576 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -10.124 1.272 1.810 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.206 0.279 2.154 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -8.195 -0.080 1.261 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13