REMARK Name = BDB006340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.205 -4.328 1.167 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.063 -3.029 0.452 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.876 -1.867 0.631 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.394 -0.873 -0.225 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.973 0.409 -0.277 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.070 0.676 0.547 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.581 -0.313 1.385 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.686 -1.414 -0.904 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.983 -1.576 1.458 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.886 -2.725 -0.513 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.975 -3.581 -1.067 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.731 -0.027 2.266 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.902 0.445 1.726 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -5.612 0.574 2.435 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.636 -0.214 3.475 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.376 0.267 0.358 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.814 -1.180 0.111 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.482 1.270 0.074 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -7.771 1.127 0.614 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -8.765 2.073 0.352 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -8.477 3.176 -0.447 0.00 0.00 +0.018 A ATOM 22 BR LIG 1 -9.821 4.457 -0.800 0.00 0.00 -0.050 Br ATOM 23 C LIG 1 -7.203 3.344 -0.982 0.00 0.00 +0.015 A ATOM 24 C LIG 1 -6.210 2.397 -0.719 0.00 0.00 +0.006 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.466 -0.707 -1.921 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 2.821 -0.258 -1.425 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.965 -0.513 -2.196 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.224 -0.076 -1.772 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.372 0.638 -0.575 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.226 0.898 0.190 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.967 0.462 -0.232 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.694 1.102 -0.127 0.00 0.00 -0.001 A ATOM 33 C LIG 1 7.381 2.163 -0.752 0.00 0.00 +0.059 A ATOM 34 C LIG 1 8.642 2.564 -0.280 0.00 0.00 +0.019 A ATOM 35 C LIG 1 9.227 1.920 0.809 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.558 0.874 1.436 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.304 0.469 0.973 0.00 0.00 +0.010 A BRANCH 33 38 ATOM 38 C LIG 1 6.818 2.869 -1.870 0.00 0.00 +0.100 C ATOM 39 N LIG 1 6.391 3.449 -2.781 0.00 0.00 -0.191 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 7