REMARK Name = BDB038896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.337 -1.152 0.102 0.00 0.00 +0.096 A ATOM 2 C LIG 1 3.418 -0.263 0.046 0.00 0.00 +0.074 A ATOM 3 N LIG 1 3.448 1.116 0.024 0.00 0.00 -0.352 N ATOM 4 H LIG 1 2.628 1.706 0.057 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 4.738 1.584 -0.039 0.00 0.00 +0.050 A ATOM 6 C LIG 1 5.577 0.470 -0.036 0.00 0.00 +0.043 A ATOM 7 C LIG 1 6.966 0.686 -0.088 0.00 0.00 +0.133 A ATOM 8 F LIG 1 7.817 -0.350 -0.086 0.00 0.00 -0.205 F ATOM 9 C LIG 1 7.476 1.984 -0.143 0.00 0.00 +0.039 A ATOM 10 C LIG 1 6.612 3.076 -0.144 0.00 0.00 +0.005 A ATOM 11 C LIG 1 5.225 2.897 -0.091 0.00 0.00 +0.026 A ATOM 12 C LIG 1 4.746 -0.693 0.028 0.00 0.00 +0.014 A ATOM 13 C LIG 1 5.010 -2.069 0.074 0.00 0.00 +0.045 A ATOM 14 CA LIG 1 3.903 -2.897 0.147 0.00 0.00 +0.149 A ATOM 15 N LIG 1 2.603 -2.483 0.169 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 -1.794 -0.000 0.148 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -1.287 -0.857 1.124 0.00 0.00 +0.025 A ATOM 18 C LIG 1 0.059 -1.235 1.099 0.00 0.00 +0.012 A ATOM 19 C LIG 1 0.933 -0.742 0.116 0.00 0.00 +0.003 A ATOM 20 C LIG 1 0.410 0.136 -0.848 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -0.936 0.519 -0.823 0.00 0.00 +0.025 A BRANCH 16 23 ATOM 22 C LIG 1 -3.344 1.715 0.961 0.00 0.00 +0.157 C ATOM 23 N LIG 1 -3.168 0.414 0.270 0.00 0.00 -0.206 N BRANCH 23 24 ATOM 24 S LIG 1 -4.099 0.224 -1.162 0.00 0.00 +0.074 S ATOM 25 O LIG 1 -3.918 1.415 -1.970 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.866 -1.095 -1.712 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.762 0.231 -0.534 0.00 0.00 +0.109 A ATOM 28 C LIG 1 -6.633 1.275 -0.856 0.00 0.00 +0.029 A ATOM 29 C LIG 1 -7.934 1.260 -0.353 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -8.357 0.205 0.459 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.485 -0.841 0.768 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.183 -0.833 0.270 0.00 0.00 +0.029 A ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 14 33 ATOM 33 C LIG 1 4.084 -4.378 0.209 0.00 0.00 +0.355 C ATOM 34 O LIG 1 5.155 -4.956 0.232 0.00 0.00 -0.243 OA BRANCH 33 35 ATOM 35 OXT LIG 1 2.877 -4.996 0.239 0.00 0.00 -0.476 OA ATOM 36 HXT LIG 1 2.171 -4.307 0.199 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 14 33 TORSDOF 6