REMARK Name = BDB000038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 -0.427 1.587 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.599 -0.042 1.076 0.00 0.00 +0.071 A ATOM 3 C LIG 1 1.947 0.476 -0.246 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.295 0.711 -0.242 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.853 0.378 0.959 0.00 0.00 +0.255 C ATOM 6 O LIG 1 5.019 0.423 1.297 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.135 0.666 -1.134 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.768 -0.096 1.814 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.790 -0.539 3.120 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.569 -0.923 3.676 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.376 -0.864 2.920 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.023 1.207 -1.402 0.00 0.00 +0.171 C ATOM 13 C LIG 1 5.029 0.148 -1.851 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.708 -1.018 -2.076 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.339 0.543 -1.956 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.984 -0.177 -2.251 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.931 1.607 -1.328 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.155 1.701 -1.278 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.023 2.608 -0.659 0.00 0.00 +0.098 C ATOM 20 C LIG 1 4.623 2.603 -1.246 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.789 -0.359 0.796 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.638 0.143 -0.086 0.00 0.00 +0.152 HD BRANCH 21 24 ATOM 23 C LIG 1 -3.156 -0.503 0.196 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.007 -1.079 0.802 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.117 -2.331 1.434 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.351 -3.007 1.456 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -3.824 -4.237 1.961 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -5.122 -4.430 1.716 0.00 0.00 -0.179 NA ATOM 29 N LIG 1 -5.486 -3.317 1.049 0.00 0.00 -0.267 N ATOM 30 C LIG 1 -6.851 -3.172 0.603 0.00 0.00 +0.173 C ATOM 31 C LIG 1 -4.459 -2.424 0.855 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -4.395 -1.180 0.217 0.00 0.00 +0.038 A BRANCH 23 38 ATOM 33 C LIG 1 -2.273 2.402 -3.786 0.00 0.00 +0.067 C ATOM 34 C LIG 1 -2.674 2.212 -2.357 0.00 0.00 +0.061 A ATOM 35 N LIG 1 -2.964 3.317 -1.636 0.00 0.00 -0.155 NA ATOM 36 N LIG 1 -3.320 3.202 -0.326 0.00 0.00 -0.157 NA ATOM 37 C LIG 1 -3.375 1.978 0.238 0.00 0.00 +0.143 A ATOM 38 C LIG 1 -3.096 0.811 -0.458 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -2.735 0.944 -1.799 0.00 0.00 +0.035 A ENDBRANCH 23 38 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4