REMARK Name = BDB026783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.516 -1.198 -1.065 0.00 0.00 +0.209 C ATOM 2 C LIG 1 0.699 0.085 -1.395 0.00 0.00 +0.246 C ATOM 3 O LIG 1 0.978 0.776 -2.376 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.393 0.371 -0.567 0.00 0.00 -0.276 N ATOM 5 C LIG 1 -0.540 -0.377 0.691 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.053 -1.859 0.597 0.00 0.00 +0.174 C ATOM 7 O LIG 1 1.316 -1.878 0.169 0.00 0.00 -0.357 OA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -1.899 -0.283 1.378 0.00 0.00 -0.024 A ATOM 9 C LIG 1 -3.109 -0.468 0.688 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -4.334 -0.397 1.356 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.364 -0.142 2.724 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -5.872 -0.054 3.546 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -3.179 0.042 3.429 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -1.953 -0.030 2.761 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 6 15 ATOM 15 C LIG 1 -0.845 -2.908 -0.176 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -1.485 -2.656 -1.399 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -2.180 -3.668 -2.070 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.234 -4.950 -1.532 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -3.089 -6.192 -2.359 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -1.593 -5.230 -0.331 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.900 -4.218 0.338 0.00 0.00 +0.007 A ENDBRANCH 6 15 BRANCH 1 22 ATOM 22 C LIG 1 3.024 -0.914 -1.216 0.00 0.00 +0.076 C BRANCH 22 26 ATOM 23 C LIG 1 4.492 1.973 1.652 0.00 0.00 +0.052 A ATOM 24 C LIG 1 4.327 0.636 2.025 0.00 0.00 +0.019 A ATOM 25 C LIG 1 3.860 -0.297 1.096 0.00 0.00 +0.005 A ATOM 26 C LIG 1 3.553 0.094 -0.214 0.00 0.00 -0.044 A ATOM 27 C LIG 1 3.724 1.436 -0.581 0.00 0.00 +0.005 A ATOM 28 C LIG 1 4.190 2.371 0.347 0.00 0.00 +0.019 A BRANCH 23 30 ATOM 29 N LIG 1 5.335 3.709 3.385 0.00 0.00 -0.191 NA ATOM 30 C LIG 1 4.963 2.933 2.607 0.00 0.00 +0.099 C ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 1 22 BRANCH 4 31 ATOM 31 C LIG 1 -1.003 1.718 -0.709 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 C LIG 1 0.017 2.786 -0.351 0.00 0.00 +0.020 C ATOM 33 C LIG 1 0.676 3.707 -1.350 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -0.319 4.259 -0.366 0.00 0.00 +0.006 C ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 C LIG 1 -1.768 1.769 -2.045 0.00 0.00 +0.326 C ATOM 36 O LIG 1 -2.203 0.798 -2.656 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.087 3.000 -2.487 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 -2.569 2.828 -3.323 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 4 31 TORSDOF 9