REMARK Name = BDB034269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.326 0.279 0.040 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -1.383 1.141 0.579 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 8 ATOM 3 CL LIG 1 -7.670 2.665 -0.576 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -6.184 1.813 -0.418 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -6.186 0.425 -0.325 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -5.005 -0.291 -0.201 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -3.769 0.400 -0.150 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -2.575 -0.368 0.002 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -2.695 -1.758 0.003 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.952 -2.329 -0.058 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.790 1.813 -0.263 0.00 0.00 +0.013 A ATOM 12 N LIG 1 -5.096 -1.626 -0.143 0.00 0.00 -0.255 NA ATOM 13 C LIG 1 -4.988 2.515 -0.393 0.00 0.00 +0.021 A ENDBRANCH 1 8 BRANCH 1 14 ATOM 14 C LIG 1 -0.078 -0.436 0.295 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 0.521 -0.953 -1.013 0.00 0.00 +0.034 C BRANCH 15 16 ATOM 16 C LIG 1 1.780 -1.803 -0.806 0.00 0.00 +0.083 C BRANCH 16 17 ATOM 17 N LIG 1 2.918 -1.143 -0.169 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 2.653 -0.731 0.724 0.00 0.00 +0.122 HD BRANCH 17 19 ATOM 19 C LIG 1 3.510 -0.100 -1.002 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 4.703 0.458 -0.306 0.00 0.00 +0.030 A ATOM 21 N LIG 1 5.679 -0.359 0.215 0.00 0.00 -0.363 N ATOM 22 H LIG 1 5.640 -1.371 0.194 0.00 0.00 +0.165 HD ATOM 23 C LIG 1 6.662 0.401 0.790 0.00 0.00 +0.083 A ATOM 24 C LIG 1 6.320 1.724 0.632 0.00 0.00 +0.019 A ATOM 25 C LIG 1 5.085 1.763 -0.058 0.00 0.00 +0.024 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 7