REMARK Name = BDB035374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.958 -1.143 -1.072 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.369 -0.769 0.140 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.826 -0.203 1.114 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.036 -1.192 0.083 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.019 -1.032 1.042 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.309 -1.497 0.752 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.547 -2.126 -0.494 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.533 -2.288 -1.459 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.269 -1.803 -1.143 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.001 -1.829 -1.931 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.556 -0.025 -1.038 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.216 -0.232 -0.650 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.309 -0.929 -1.462 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.779 -1.418 -2.691 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.105 -1.227 -3.089 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.990 -0.538 -2.267 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.537 0.733 -0.144 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 5.055 2.115 0.213 0.00 0.00 +0.141 A ATOM 19 N LIG 1 4.777 3.117 -0.684 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.865 3.076 -2.119 0.00 0.00 +0.151 C ATOM 21 C LIG 1 4.395 4.196 0.052 0.00 0.00 +0.224 A ATOM 22 N LIG 1 4.446 3.898 1.326 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 4.859 2.592 1.429 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 7.891 -0.776 1.207 0.00 0.00 +0.118 C ATOM 25 C LIG 1 7.076 0.308 1.946 0.00 0.00 +0.036 C ATOM 26 C LIG 1 5.831 -0.114 1.113 0.00 0.00 +0.009 C ATOM 27 C LIG 1 6.548 -1.481 0.913 0.00 0.00 +0.036 C BRANCH 24 29 ATOM 28 C LIG 1 9.517 -2.568 1.372 0.00 0.00 +0.194 C ATOM 29 O LIG 1 8.838 -1.501 2.017 0.00 0.00 -0.380 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.844 -2.923 -2.787 0.00 0.00 +0.372 C ATOM 31 F LIG 1 -1.740 -3.406 -3.425 0.00 0.00 -0.204 F ATOM 32 F LIG 1 -3.699 -3.977 -2.682 0.00 0.00 -0.204 F ENDBRANCH 8 30 BRANCH 6 33 ATOM 33 C LIG 1 -4.425 -1.345 1.769 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.190 -0.097 1.725 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.055 0.098 0.540 0.00 0.00 +0.074 C ATOM 36 C LIG 1 -5.635 1.373 -0.258 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -5.714 2.619 0.529 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -5.002 3.701 -0.144 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -5.223 2.413 1.908 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -4.434 1.100 2.119 0.00 0.00 +0.100 C BRANCH 35 41 ATOM 41 C LIG 1 -7.554 0.114 0.987 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -7.949 -1.188 1.700 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -8.509 0.329 -0.195 0.00 0.00 +0.009 C ENDBRANCH 35 41 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9