REMARK Name = BDB015866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.069 2.113 -0.841 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.258 1.214 -0.255 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.017 1.572 -0.001 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.514 2.826 -0.349 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.597 3.673 -0.945 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.689 3.352 -1.195 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.264 0.029 -0.954 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.943 0.438 -0.710 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.464 1.706 -1.106 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.369 2.557 -1.764 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.685 2.164 -2.019 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.129 0.905 -1.617 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.885 -4.185 1.599 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.991 -3.138 0.613 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.865 -3.269 -0.400 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.708 -2.138 -1.094 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.730 -1.282 -0.536 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.287 -1.969 0.576 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.889 3.240 -0.142 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.282 4.495 0.279 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.646 4.463 0.351 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.523 5.538 0.747 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.171 3.275 0.007 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -4.103 2.533 -0.300 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.856 0.602 0.603 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.361 1.039 1.372 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.375 -0.702 0.953 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -1.207 -1.633 -0.272 0.00 0.00 +0.031 C ATOM 29 C LIG 1 -1.883 -2.774 0.560 0.00 0.00 -0.000 C ATOM 30 C LIG 1 -2.500 -1.636 1.445 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -0.802 -3.622 1.258 0.00 0.00 +0.117 C ATOM 32 CL LIG 1 -1.466 -4.622 2.571 0.00 0.00 -0.125 Cl ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 C LIG 1 -2.874 -3.670 -0.206 0.00 0.00 +0.085 C BRANCH 33 34 ATOM 34 N LIG 1 -3.903 -2.925 -0.928 0.00 0.00 -0.329 NA ATOM 35 H LIG 1 -4.571 -3.580 -1.333 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -3.490 -2.430 -1.717 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8