REMARK Name = BDB027378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.669 -0.353 0.441 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.003 0.535 -0.421 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.344 1.881 -0.278 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.247 2.383 0.604 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.870 1.515 1.430 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.605 0.150 1.367 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.843 2.111 2.369 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.558 3.272 2.014 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.477 3.844 2.889 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.144 4.946 2.518 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.703 3.280 4.136 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.586 3.832 4.980 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.009 2.143 4.524 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.085 1.564 3.646 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.926 0.062 -1.352 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.284 -0.209 -0.808 0.00 0.00 +0.133 C ATOM 17 C LIG 1 3.321 0.941 -1.048 0.00 0.00 +0.075 C ATOM 18 C LIG 1 3.279 1.316 -2.547 0.00 0.00 +0.031 C ATOM 19 C LIG 1 1.871 1.690 -3.010 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.866 0.577 -2.726 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.686 0.433 -0.547 0.00 0.00 +0.063 A ATOM 22 N LIG 1 4.769 0.213 0.797 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 5.946 -0.217 1.303 0.00 0.00 +0.111 A ATOM 24 C LIG 1 7.072 -0.445 0.536 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.987 -0.213 -0.829 0.00 0.00 +0.003 A ATOM 26 C LIG 1 5.786 0.233 -1.380 0.00 0.00 +0.025 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 2.960 2.164 -0.277 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 2.937 1.886 0.709 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.739 2.820 -0.333 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.487 -1.849 0.352 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.492 -4.103 -1.173 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.240 -3.478 -1.292 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -2.427 -3.219 -2.378 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -1.380 -2.603 -1.871 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.483 -2.449 -0.513 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.669 -3.004 -0.121 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.179 -3.075 1.121 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -4.383 -3.683 1.107 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.061 -4.184 0.051 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -5.188 -4.627 -2.257 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.890 -4.236 -3.144 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -6.181 -4.681 -2.077 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7