REMARK Name = BDB061065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.035 0.352 0.021 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -0.771 0.420 1.393 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.538 0.292 1.867 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.611 0.089 0.989 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.339 0.021 -0.381 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.029 0.145 -0.861 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.910 -0.007 1.540 0.00 0.00 -0.312 N ATOM 8 H LIG 1 2.916 -0.672 2.315 0.00 0.00 +0.152 HD BRANCH 7 9 ATOM 9 C LIG 1 4.115 0.022 0.853 0.00 0.00 +0.075 A ATOM 10 C LIG 1 5.178 -0.769 1.058 0.00 0.00 +0.129 A ATOM 11 CL LIG 1 5.123 -2.030 2.247 0.00 0.00 -0.076 Cl ATOM 12 C LIG 1 6.435 -0.637 0.267 0.00 0.00 +0.287 A ATOM 13 O LIG 1 7.398 -1.372 0.477 0.00 0.00 -0.265 OA ATOM 14 N LIG 1 6.426 0.353 -0.712 0.00 0.00 -0.231 N ATOM 15 C LIG 1 7.612 0.585 -1.516 0.00 0.00 +0.176 C ATOM 16 N LIG 1 5.408 1.259 -0.873 0.00 0.00 -0.175 NA ATOM 17 C LIG 1 4.356 1.099 -0.139 0.00 0.00 +0.157 A ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -2.450 0.473 -0.491 0.00 0.00 +0.036 C BRANCH 18 19 ATOM 19 C LIG 1 -3.193 -0.863 -0.417 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 -4.635 -0.784 -0.945 0.00 0.00 +0.084 C BRANCH 20 22 ATOM 21 C LIG 1 -6.999 -0.744 -0.503 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -5.666 -0.615 0.094 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 -5.565 0.657 0.805 0.00 0.00 +0.104 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 6