REMARK Name = BDB032889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.120 1.615 -0.225 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -1.242 1.601 0.160 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.862 2.820 0.458 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.165 4.028 0.349 0.00 0.00 +0.002 A ATOM 5 C LIG 1 0.162 4.039 -0.067 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.805 2.837 -0.358 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.169 0.319 -0.115 0.00 0.00 -0.261 N ATOM 8 H LIG 1 2.580 1.095 0.381 0.00 0.00 +0.157 HD ATOM 9 C LIG 1 0.844 0.332 -0.492 0.00 0.00 +0.251 C ATOM 10 O LIG 1 0.209 -0.608 -0.960 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 4.912 -2.171 -0.191 0.00 0.00 +0.166 A ATOM 12 S LIG 1 4.547 -0.589 0.330 0.00 0.00 -0.030 S ATOM 13 C LIG 1 2.966 -0.780 -0.288 0.00 0.00 +0.167 A ATOM 14 N LIG 1 2.691 -1.927 -0.854 0.00 0.00 -0.231 NA ATOM 15 C LIG 1 3.813 -2.735 -0.799 0.00 0.00 +0.152 A BRANCH 11 17 ATOM 16 O LIG 1 7.083 -2.225 0.525 0.00 0.00 -0.143 OA ATOM 17 N LIG 1 6.195 -2.874 -0.039 0.00 0.00 -0.022 NA ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 N LIG 1 -1.933 0.366 0.218 0.00 0.00 -0.285 N ATOM 19 H LIG 1 -1.407 -0.431 -0.143 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -3.224 0.119 0.626 0.00 0.00 +0.220 C ATOM 21 O LIG 1 -4.012 0.935 1.086 0.00 0.00 -0.275 OA BRANCH 20 22 ATOM 22 C LIG 1 -3.686 -1.299 0.499 0.00 0.00 +0.075 C ATOM 23 C LIG 1 -2.774 -2.482 0.734 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -3.278 -2.189 -0.652 0.00 0.00 +0.013 C ENDBRANCH 20 22 ENDBRANCH 2 18 TORSDOF 5