REMARK Name = BDB039491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.153 -0.161 0.397 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.571 1.104 0.161 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.895 1.297 0.295 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.846 0.346 0.656 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -5.103 1.011 0.663 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -4.888 2.327 0.315 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -3.401 -0.965 0.917 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.541 2.494 0.095 0.00 0.00 -0.327 N ATOM 9 C LIG 1 -2.016 -1.189 0.779 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.860 0.605 0.197 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.507 -0.680 -0.172 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.233 -1.607 -0.471 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.044 -0.755 -0.101 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.572 0.463 0.373 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.212 0.667 0.540 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.304 -0.372 0.228 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.830 -1.599 -0.259 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.206 -1.802 -0.423 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.712 1.383 0.642 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.423 -1.533 -0.082 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.472 -0.760 0.018 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.966 -0.437 1.250 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.380 -0.927 2.029 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.891 0.360 1.549 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.467 0.435 2.703 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.222 1.093 0.385 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.083 1.144 -0.874 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.806 -0.152 -1.190 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -2.929 3.744 -0.290 0.00 0.00 +0.116 C ATOM 30 C LIG 1 -1.850 4.272 0.645 0.00 0.00 +0.185 C ATOM 31 O LIG 1 -1.034 5.168 -0.133 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -1.364 4.995 -1.519 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -2.221 3.752 -1.630 0.00 0.00 +0.055 C ENDBRANCH 8 29 BRANCH 7 34 ATOM 34 C LIG 1 -4.307 -2.103 1.328 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 -4.267 -3.225 0.384 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.869 -2.904 -0.913 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -5.089 -4.274 -1.541 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.167 -5.244 -0.367 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.028 -4.376 0.873 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 5