REMARK Name = BDB045701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.123 0.012 0.653 0.00 0.00 +0.011 A ATOM 2 C LIG 1 2.866 -0.626 -0.570 0.00 0.00 +0.011 A ATOM 3 C LIG 1 1.757 -1.478 -0.664 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.460 -2.098 -1.890 0.00 0.00 -0.319 N ATOM 5 H LIG 1 0.616 -2.655 -1.950 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 2.187 -1.931 -3.031 0.00 0.00 +0.252 A ATOM 7 C LIG 1 3.388 -1.049 -2.935 0.00 0.00 +0.014 A ATOM 8 C LIG 1 4.195 -0.889 -4.185 0.00 0.00 +0.049 C ATOM 9 O LIG 1 1.869 -2.478 -4.082 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 0.924 -1.693 0.447 0.00 0.00 +0.143 A ATOM 11 N LIG 1 1.170 -1.089 1.620 0.00 0.00 -0.238 NA ATOM 12 C LIG 1 3.690 -0.440 -1.775 0.00 0.00 +0.019 A ATOM 13 C LIG 1 2.237 -0.258 1.697 0.00 0.00 +0.122 A ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 5.005 4.653 1.021 0.00 0.00 +0.045 C ATOM 15 C LIG 1 5.158 3.166 1.077 0.00 0.00 -0.032 A ATOM 16 C LIG 1 4.072 2.315 0.854 0.00 0.00 +0.015 A ATOM 17 C LIG 1 4.245 0.926 0.876 0.00 0.00 +0.003 A ATOM 18 C LIG 1 5.533 0.455 1.122 0.00 0.00 +0.119 A ATOM 19 N LIG 1 6.611 1.246 1.325 0.00 0.00 -0.262 NA ATOM 20 C LIG 1 6.400 2.580 1.293 0.00 0.00 +0.114 A ENDBRANCH 1 17 BRANCH 10 21 ATOM 21 N LIG 1 -0.157 -2.599 0.303 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.280 -3.507 0.156 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.123 -2.641 1.431 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.280 -1.623 1.244 0.00 0.00 +0.152 C ATOM 25 C LIG 1 -3.266 -1.772 2.427 0.00 0.00 +0.114 C ATOM 26 N LIG 1 -3.473 -3.141 2.917 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 -4.429 -3.241 3.256 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -3.176 -4.131 1.897 0.00 0.00 +0.083 C ATOM 29 C LIG 1 -1.699 -4.077 1.507 0.00 0.00 +0.040 C BRANCH 24 30 ATOM 30 O LIG 1 -1.839 -0.258 1.243 0.00 0.00 -0.373 OA BRANCH 30 31 ATOM 31 C LIG 1 -1.786 0.335 -0.052 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 C LIG 1 -3.158 0.887 -0.468 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -3.099 1.451 -1.899 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -4.173 2.501 -2.194 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -5.412 2.310 -1.331 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -5.087 2.416 0.159 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -3.674 1.946 0.515 0.00 0.00 +0.006 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 21 23 ENDBRANCH 10 21 TORSDOF 6