REMARK Name = BDB034695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.360 -3.186 -3.523 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -0.510 -2.072 -2.632 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.467 -1.607 -1.745 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.066 -0.524 -1.046 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.660 0.142 -0.078 0.00 0.00 +0.051 A ATOM 6 C LIG 1 1.969 -0.296 0.191 0.00 0.00 +0.033 A ATOM 7 C LIG 1 2.496 -1.389 -0.539 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -1.373 -0.315 -1.510 0.00 0.00 -0.289 N ATOM 9 C LIG 1 1.745 -2.060 -1.513 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -1.670 -1.283 -2.496 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -2.725 -1.409 -3.095 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 2.728 0.410 1.149 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.154 0.823 1.882 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.124 0.587 1.292 0.00 0.00 +0.053 A ATOM 15 C LIG 1 4.714 0.752 2.560 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.096 0.876 2.628 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 6.952 1.084 4.109 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 6.919 0.848 1.556 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 6.338 0.690 0.353 0.00 0.00 +0.114 A ATOM 20 C LIG 1 4.971 0.552 0.177 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 3.918 0.789 3.745 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.223 0.830 4.673 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 23 ATOM 23 C LIG 1 -2.304 0.690 -1.043 0.00 0.00 +0.161 C BRANCH 23 24 ATOM 24 C LIG 1 -3.248 0.150 0.049 0.00 0.00 +0.165 C BRANCH 24 25 ATOM 25 C LIG 1 -4.353 1.164 0.467 0.00 0.00 +0.088 C ATOM 26 C LIG 1 -5.303 0.508 1.479 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -3.783 2.448 1.085 0.00 0.00 +0.044 C BRANCH 25 28 ATOM 28 O LIG 1 -5.154 1.511 -0.669 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -4.757 2.275 -1.121 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 O LIG 1 -2.473 -0.225 1.198 0.00 0.00 -0.387 OA ATOM 31 H LIG 1 -1.945 -0.998 0.927 0.00 0.00 +0.210 HD ENDBRANCH 24 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8