REMARK Name = BDB061067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.266 0.561 -1.478 0.00 0.00 -0.312 N ATOM 2 H LIG 1 0.229 1.443 -1.991 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 4.013 -0.671 -0.058 0.00 0.00 -0.214 N ATOM 4 C LIG 1 3.964 0.601 -0.613 0.00 0.00 +0.288 A ATOM 5 O LIG 1 4.949 1.334 -0.680 0.00 0.00 -0.265 OA ATOM 6 C LIG 1 2.635 1.032 -1.129 0.00 0.00 +0.129 A ATOM 7 CL LIG 1 2.542 2.606 -1.849 0.00 0.00 -0.076 Cl ATOM 8 C LIG 1 1.542 0.263 -1.020 0.00 0.00 +0.075 A ATOM 9 C LIG 1 1.809 -1.081 -0.448 0.00 0.00 +0.157 A ATOM 10 N LIG 1 2.936 -1.521 0.008 0.00 0.00 -0.174 NA BRANCH 3 11 ATOM 11 C LIG 1 5.266 -1.147 0.524 0.00 0.00 +0.265 C BRANCH 11 13 ATOM 12 N LIG 1 5.528 -0.410 3.039 0.00 0.00 -0.195 NA ATOM 13 C LIG 1 5.407 -0.728 1.928 0.00 0.00 +0.086 C ENDBRANCH 11 13 ENDBRANCH 3 11 ENDBRANCH 1 8 BRANCH 1 14 ATOM 14 C LIG 1 -0.952 0.352 -0.789 0.00 0.00 +0.031 A ATOM 15 C LIG 1 -1.033 0.034 0.570 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -2.274 -0.173 1.183 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.464 -0.071 0.451 0.00 0.00 -0.034 A ATOM 18 C LIG 1 -3.387 0.249 -0.908 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -2.145 0.457 -1.518 0.00 0.00 +0.023 A BRANCH 17 20 ATOM 20 C LIG 1 -4.795 -0.301 1.120 0.00 0.00 +0.113 C BRANCH 20 21 ATOM 21 N LIG 1 -5.065 0.717 2.128 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -5.045 1.634 1.685 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -6.009 0.590 2.486 0.00 0.00 +0.119 HD ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 14 TORSDOF 6