REMARK Name = BDB030566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.233 -0.400 0.732 0.00 0.00 +0.162 A ATOM 2 C LIG 1 0.950 -0.096 1.188 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.726 0.820 2.147 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -0.141 -0.777 0.645 0.00 0.00 +0.159 A ATOM 5 N LIG 1 0.021 -1.725 -0.292 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 1.279 -1.964 -0.675 0.00 0.00 +0.225 A ATOM 7 N LIG 1 2.381 -1.351 -0.218 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -1.424 -0.515 1.156 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.546 0.475 1.351 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.567 -1.131 0.483 0.00 0.00 +0.109 C BRANCH 10 11 ATOM 11 C LIG 1 -2.895 -0.438 -0.858 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -3.734 -1.365 -1.747 0.00 0.00 +0.133 C ATOM 13 C LIG 1 -5.154 -1.589 -1.176 0.00 0.00 +0.116 C ATOM 14 N LIG 1 -5.640 -0.488 -0.314 0.00 0.00 -0.292 NA ATOM 15 C LIG 1 -5.160 0.805 -0.799 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -3.634 0.903 -0.647 0.00 0.00 +0.023 C BRANCH 12 17 ATOM 17 O LIG 1 -3.844 -0.784 -3.055 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 -2.941 -0.716 -3.413 0.00 0.00 +0.210 HD ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 -7.109 -0.555 -0.196 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -7.620 0.340 0.937 0.00 0.00 +0.225 C ATOM 21 O LIG 1 -7.441 0.118 2.131 0.00 0.00 -0.275 OA ATOM 22 N LIG 1 -8.319 1.447 0.539 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -8.217 1.816 -0.396 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -8.561 2.098 1.276 0.00 0.00 +0.145 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 25 ATOM 25 N LIG 1 3.404 0.247 1.161 0.00 0.00 -0.309 N BRANCH 25 27 ATOM 26 C LIG 1 4.567 2.214 2.179 0.00 0.00 +0.024 C ATOM 27 C LIG 1 3.298 1.375 2.095 0.00 0.00 +0.103 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 4.570 -0.646 1.276 0.00 0.00 +0.141 C BRANCH 28 29 ATOM 29 C LIG 1 5.700 -0.235 0.349 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.027 -0.246 0.808 0.00 0.00 +0.006 A ATOM 31 C LIG 1 8.080 0.102 -0.043 0.00 0.00 +0.019 A ATOM 32 C LIG 1 7.822 0.455 -1.371 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.507 0.453 -1.844 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.457 0.105 -0.991 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 8.901 0.813 -2.244 0.00 0.00 +0.099 C ATOM 36 N LIG 1 9.777 1.102 -2.948 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11