REMARK Name = BDB035665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.387 -1.079 0.075 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.361 -1.432 1.447 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.160 -1.508 2.184 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.977 -1.221 1.512 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.431 -1.214 2.011 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.209 -0.831 0.839 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.382 -0.628 -0.271 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.639 -0.308 -1.416 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.996 -0.877 0.169 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.165 -0.799 -0.567 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.625 -0.705 0.878 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.369 -0.336 -0.253 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.778 -0.213 -0.226 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.440 -0.467 0.981 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.720 -0.832 2.116 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.329 -0.949 2.065 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.488 0.196 -1.517 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 5.268 1.629 -1.929 0.00 0.00 +0.141 A ATOM 19 N LIG 1 5.270 2.751 -1.137 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.473 2.862 0.282 0.00 0.00 +0.151 C ATOM 21 C LIG 1 5.058 3.806 -1.973 0.00 0.00 +0.224 A ATOM 22 N LIG 1 4.955 3.378 -3.206 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 5.088 2.013 -3.181 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 6.985 -0.104 -1.512 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.403 -1.585 -1.511 0.00 0.00 +0.166 C ATOM 26 O LIG 1 8.354 -1.342 -2.578 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.687 -0.088 -2.884 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.149 -1.877 3.643 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.380 -2.150 4.153 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.628 -0.886 4.418 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.385 -2.977 3.889 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.678 -0.979 -0.742 0.00 0.00 +0.084 C BRANCH 32 34 ATOM 33 C LIG 1 -5.623 -3.319 -0.266 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -5.885 -1.815 -0.259 0.00 0.00 +0.020 C ENDBRANCH 32 34 BRANCH 32 35 ATOM 35 N LIG 1 -5.001 0.418 -1.093 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 -4.159 0.873 -1.445 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -5.762 1.238 -0.141 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.289 1.008 -0.335 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.457 2.539 -0.403 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -5.985 2.614 -0.857 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -5.201 1.375 1.259 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 9