REMARK Name = BDB035767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.305 -0.869 0.276 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.883 -1.421 0.769 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.103 -2.099 1.755 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.952 -1.036 -0.162 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.300 -1.339 -0.103 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.130 -0.855 -1.125 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.573 -0.067 -2.161 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.196 0.232 -2.206 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.399 -0.271 -1.182 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.071 -0.121 -0.954 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.027 -0.425 0.787 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.710 -0.364 0.259 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.598 -0.988 0.855 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.821 -1.717 2.022 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.102 -1.821 2.568 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.183 -1.186 1.957 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.951 -0.904 -0.424 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.777 -0.340 -1.251 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.241 0.347 0.053 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.705 0.231 0.590 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.840 1.864 -0.166 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.588 2.801 0.799 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.635 2.630 2.225 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.249 3.939 0.137 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.282 3.721 -1.157 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.649 2.410 -1.349 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.984 -3.303 -0.810 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.802 -2.238 0.112 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.607 1.075 -3.305 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.501 1.408 -4.276 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.579 0.448 -3.940 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.101 2.247 -2.838 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.614 -1.141 -1.090 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.282 -0.239 -0.156 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 6.109 0.723 -0.439 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.722 -0.495 -0.110 0.00 0.00 +0.084 C BRANCH 36 37 ATOM 37 C LIG 1 8.463 0.408 0.896 0.00 0.00 -0.003 C ATOM 38 C LIG 1 8.390 1.889 0.518 0.00 0.00 +0.008 C ATOM 39 C LIG 1 7.967 0.199 2.329 0.00 0.00 +0.008 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9