REMARK Name = BDB008478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.261 1.766 2.106 0.00 0.00 +0.135 C ATOM 2 N LIG 1 -1.158 1.338 1.273 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -1.100 0.026 0.670 0.00 0.00 +0.166 C ATOM 4 C LIG 1 0.399 -0.135 0.514 0.00 0.00 +0.020 C ATOM 5 C LIG 1 1.093 0.938 0.914 0.00 0.00 +0.027 C ATOM 6 C LIG 1 0.102 1.871 1.473 0.00 0.00 +0.245 C ATOM 7 O LIG 1 0.388 2.906 2.051 0.00 0.00 -0.270 OA ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 0.925 -1.342 -0.018 0.00 0.00 +0.008 A ATOM 9 C LIG 1 1.234 -2.538 0.689 0.00 0.00 +0.007 A ATOM 10 C LIG 1 1.724 -3.448 -0.251 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.125 -4.746 0.091 0.00 0.00 +0.046 A ATOM 12 C LIG 1 2.022 -5.118 1.435 0.00 0.00 +0.043 A ATOM 13 C LIG 1 1.543 -4.234 2.398 0.00 0.00 +0.021 A ATOM 14 CL LIG 1 2.502 -6.704 1.905 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 1.723 -2.814 -1.474 0.00 0.00 -0.360 N ATOM 16 H LIG 1 2.038 -3.234 -2.339 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 1.147 -2.941 2.039 0.00 0.00 +0.012 A ATOM 18 C LIG 1 1.247 -1.535 -1.343 0.00 0.00 +0.092 A ENDBRANCH 4 8 BRANCH 3 19 ATOM 19 O LIG 1 -1.593 -0.922 1.603 0.00 0.00 -0.367 OA ATOM 20 H LIG 1 -1.421 -1.800 1.223 0.00 0.00 +0.212 HD ENDBRANCH 3 19 BRANCH 3 21 ATOM 21 C LIG 1 -1.820 -0.071 -0.705 0.00 0.00 +0.095 C BRANCH 21 22 ATOM 22 C LIG 1 -3.299 0.254 -0.733 0.00 0.00 -0.043 A ATOM 23 C LIG 1 -3.744 1.469 -1.276 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -5.107 1.774 -1.307 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.031 0.866 -0.798 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -7.710 1.241 -0.835 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -5.605 -0.345 -0.258 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -4.242 -0.651 -0.227 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 29 ATOM 29 C LIG 1 2.554 1.202 0.978 0.00 0.00 +0.076 C BRANCH 29 30 ATOM 30 C LIG 1 3.069 1.950 -0.231 0.00 0.00 -0.043 A ATOM 31 C LIG 1 2.872 3.334 -0.348 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.328 4.023 -1.474 0.00 0.00 +0.020 A ATOM 33 C LIG 1 3.984 3.330 -2.489 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 4.544 4.176 -3.879 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 4.188 1.956 -2.388 0.00 0.00 +0.020 A ATOM 36 C LIG 1 3.731 1.267 -1.262 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6