REMARK Name = BDB055478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.899 0.168 -0.019 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.581 0.060 1.281 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.573 -0.082 2.158 0.00 0.00 +0.215 A ATOM 4 N LIG 1 2.869 -0.091 1.855 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.192 0.010 0.550 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.221 0.134 -0.425 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.640 -0.037 0.245 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.504 -0.812 1.047 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.868 -0.841 0.732 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.416 -0.140 -0.332 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.802 -0.449 -0.287 0.00 0.00 +0.146 A ATOM 12 N LIG 1 9.105 -1.274 0.710 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.568 0.645 -1.131 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.925 -1.486 1.317 0.00 0.00 -0.275 N ATOM 15 H LIG 1 7.905 -2.089 2.131 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.195 0.686 -0.830 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.717 0.015 -1.153 0.00 0.00 -0.341 N ATOM 18 H LIG 1 10.607 -0.473 -1.138 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 9.427 0.281 -2.085 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 -2.496 -0.156 -1.602 0.00 0.00 +0.093 C ATOM 21 C LIG 1 -1.474 0.039 -0.450 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -0.125 0.293 -0.982 0.00 0.00 -0.313 N ATOM 23 C LIG 1 0.018 1.488 -1.829 0.00 0.00 +0.106 C ATOM 24 C LIG 1 -1.297 1.861 -2.520 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -2.105 0.619 -2.871 0.00 0.00 +0.025 C BRANCH 20 27 ATOM 26 C LIG 1 -4.577 -0.543 -0.329 0.00 0.00 +0.401 C ATOM 27 N LIG 1 -3.841 0.224 -1.181 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -4.148 1.183 -1.259 0.00 0.00 +0.152 HD ATOM 29 O LIG 1 -4.271 -1.662 0.045 0.00 0.00 -0.226 OA BRANCH 26 30 ATOM 30 O LIG 1 -5.675 0.155 0.037 0.00 0.00 -0.445 OA BRANCH 30 32 ATOM 31 C LIG 1 -7.721 0.664 1.109 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -6.642 -0.418 0.955 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -7.292 -1.676 0.367 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -6.016 -0.684 2.328 0.00 0.00 +0.055 C ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 20 27 ENDBRANCH 1 22 BRANCH 3 35 ATOM 35 N LIG 1 1.235 -0.174 3.493 0.00 0.00 -0.327 N ATOM 36 H LIG 1 1.999 0.160 4.062 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 0.325 0.237 3.641 0.00 0.00 +0.145 HD ENDBRANCH 3 35 TORSDOF 7