REMARK Name = BDB040153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.117 -0.336 1.043 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.021 -0.943 1.586 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.149 -1.885 2.346 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.185 -0.211 1.069 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.527 -0.439 1.315 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.459 0.404 0.695 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.004 1.443 -0.155 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.634 1.662 -0.393 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.734 0.809 0.240 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.242 0.783 0.183 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.893 -0.332 0.848 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.526 -0.003 0.668 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.469 -0.722 1.260 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.802 -1.818 2.058 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.134 -2.184 2.250 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.158 -1.451 1.654 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.075 0.531 0.167 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.342 0.811 1.057 0.00 0.00 +0.087 C ATOM 19 C LIG 1 6.372 2.245 0.496 0.00 0.00 +0.251 C ATOM 20 F LIG 1 7.153 2.418 -0.597 0.00 0.00 -0.206 F ATOM 21 F LIG 1 6.708 3.216 1.370 0.00 0.00 -0.206 F ATOM 22 C LIG 1 4.865 2.091 0.207 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 5.352 0.029 -1.274 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 8.241 -0.207 -2.441 0.00 0.00 +0.151 C ATOM 25 N LIG 1 7.468 -1.266 -1.849 0.00 0.00 -0.320 N ATOM 26 C LIG 1 6.198 -1.198 -1.331 0.00 0.00 +0.134 A ATOM 27 N LIG 1 5.863 -2.399 -0.906 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 6.920 -3.249 -1.124 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 7.874 -2.555 -1.695 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.154 2.758 -1.303 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.143 3.564 -1.774 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.507 2.271 -2.398 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.259 3.582 -0.688 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.944 0.198 0.909 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.561 -0.297 -0.318 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -6.081 -1.154 -0.597 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -8.011 -0.549 -0.258 0.00 0.00 +0.011 C ATOM 38 C LIG 1 -8.354 -1.691 0.713 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -8.428 -0.977 -1.679 0.00 0.00 +0.027 C ATOM 40 C LIG 1 -8.802 0.714 0.117 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8