REMARK Name = BDB008039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.274 -0.097 0.157 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.208 1.424 0.124 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.268 2.327 -0.908 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.079 3.631 -0.444 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.419 4.778 -1.177 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.984 4.599 -2.437 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.203 3.326 -2.942 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 1.424 5.975 -3.372 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.472 3.543 0.802 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -0.724 4.334 1.382 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.852 2.195 -2.191 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.629 2.237 1.190 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -1.176 1.955 2.493 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -1.604 2.777 3.289 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -1.148 0.648 2.810 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -1.596 0.632 3.681 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 -1.736 -0.657 0.092 0.00 0.00 +0.239 C ATOM 18 N LIG 1 -1.795 -2.041 -0.021 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -0.924 -2.513 -0.232 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -2.740 0.039 0.221 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 -3.031 -2.829 -0.136 0.00 0.00 +0.026 C ATOM 22 C LIG 1 -3.924 -2.647 1.101 0.00 0.00 +0.031 C ATOM 23 C LIG 1 -2.636 -4.315 -0.229 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.801 -2.449 -1.409 0.00 0.00 +0.031 C ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 25 ATOM 25 N LIG 1 0.631 -0.785 -0.783 0.00 0.00 -0.282 N ATOM 26 C LIG 1 0.241 -1.003 -2.092 0.00 0.00 +0.329 C ATOM 27 O LIG 1 0.873 -1.643 -2.922 0.00 0.00 -0.279 OA BRANCH 25 29 ATOM 28 C LIG 1 1.762 -2.639 0.414 0.00 0.00 +0.033 C ATOM 29 C LIG 1 1.934 -1.302 -0.319 0.00 0.00 +0.104 C BRANCH 29 30 ATOM 30 C LIG 1 2.744 -0.257 0.440 0.00 0.00 -0.027 A ATOM 31 C LIG 1 3.473 0.697 -0.294 0.00 0.00 +0.007 A ATOM 32 C LIG 1 4.190 1.708 0.349 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.191 1.775 1.738 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 5.064 3.023 2.536 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 3.486 0.837 2.487 0.00 0.00 +0.020 A ATOM 36 C LIG 1 2.766 -0.174 1.842 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 8