REMARK Name = BDB028369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.025 -1.549 -1.344 0.00 0.00 +0.077 A ATOM 2 N LIG 1 1.534 -2.237 -2.426 0.00 0.00 -0.266 N ATOM 3 C LIG 1 2.900 -2.244 -2.899 0.00 0.00 +0.173 C ATOM 4 N LIG 1 0.620 -2.979 -3.075 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.497 -2.796 -2.371 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.316 -1.908 -1.289 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -1.272 -1.461 -0.294 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -1.455 -0.093 -0.039 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.369 0.329 0.934 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.124 -0.616 1.623 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -4.116 -0.160 2.610 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.228 1.199 2.772 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -4.909 1.531 3.448 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -3.482 2.147 2.142 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -4.803 -0.956 3.240 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -2.954 -1.982 1.372 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -2.589 1.756 1.279 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.026 -2.402 0.417 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -1.744 2.840 0.615 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -2.245 3.083 -0.739 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -1.773 3.903 -1.122 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.230 3.351 -0.670 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 29 ATOM 23 C LIG 1 3.313 2.827 -0.735 0.00 0.00 +0.045 C ATOM 24 C LIG 1 2.937 1.483 -0.174 0.00 0.00 -0.031 A ATOM 25 C LIG 1 3.291 1.097 1.126 0.00 0.00 +0.045 A ATOM 26 CL LIG 1 4.188 2.143 2.165 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 2.920 -0.155 1.623 0.00 0.00 +0.039 A ATOM 28 C LIG 1 2.185 -1.045 0.828 0.00 0.00 +0.062 A ATOM 29 C LIG 1 1.822 -0.676 -0.478 0.00 0.00 +0.018 A ATOM 30 C LIG 1 2.202 0.586 -0.965 0.00 0.00 +0.016 A BRANCH 28 31 ATOM 31 C LIG 1 1.831 -2.322 1.381 0.00 0.00 +0.100 C ATOM 32 N LIG 1 1.562 -3.349 1.850 0.00 0.00 -0.191 NA ENDBRANCH 28 31 ENDBRANCH 1 29 TORSDOF 5