REMARK Name = BDB037899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.259 0.769 -0.998 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.504 1.769 -0.486 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.202 1.504 -0.219 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.431 0.276 -0.427 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.364 -0.753 -0.952 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.720 -0.495 -1.232 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.385 1.820 -1.745 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.676 2.365 -0.674 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.272 3.238 0.152 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.344 2.028 -0.434 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.668 1.115 -1.261 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.397 0.577 -2.333 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.818 -0.290 -3.180 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.732 0.916 -2.578 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.370 1.835 -3.055 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.684 2.228 -1.875 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.790 0.036 -0.130 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.037 0.066 1.339 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.555 -0.211 1.679 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.314 -0.619 0.393 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -4.127 0.367 -0.768 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.703 0.920 -0.872 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.666 -1.347 2.627 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.101 -1.149 3.456 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.219 -2.181 2.225 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.167 1.071 2.341 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.655 0.978 2.725 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.797 0.250 3.867 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.113 2.227 3.030 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.388 1.393 3.521 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.810 0.900 4.255 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.194 -2.127 -1.231 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -0.445 -2.889 -0.020 0.00 0.00 -0.332 N ATOM 34 C LIG 1 -1.638 -3.461 0.317 0.00 0.00 +0.199 A ATOM 35 N LIG 1 -1.565 -4.085 1.472 0.00 0.00 -0.244 NA ATOM 36 C LIG 1 -0.258 -3.967 1.861 0.00 0.00 +0.130 A ATOM 37 C LIG 1 0.459 -3.231 0.947 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9