REMARK Name = BDB000130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.124 1.608 -1.583 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.977 1.958 -0.535 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.482 2.189 0.750 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.136 2.048 1.041 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.256 1.695 0.007 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.099 1.586 0.382 0.00 0.00 +0.134 A ATOM 7 N LIG 1 1.508 1.772 1.648 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 0.572 2.097 2.544 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.731 2.254 2.297 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.765 1.470 -1.303 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.859 1.051 -3.889 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.701 1.431 -2.810 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.069 1.287 -0.613 0.00 0.00 -0.297 N ATOM 14 H LIG 1 1.985 1.971 -1.360 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.401 0.885 -0.413 0.00 0.00 +0.069 A ATOM 16 C LIG 1 3.870 0.192 0.686 0.00 0.00 +0.139 A ATOM 17 N LIG 1 5.137 -0.263 0.825 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 5.976 -0.041 -0.186 0.00 0.00 +0.222 A ATOM 19 N LIG 1 5.637 0.593 -1.319 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 4.357 1.021 -1.405 0.00 0.00 +0.139 A BRANCH 18 21 ATOM 21 N LIG 1 7.301 -0.446 -0.148 0.00 0.00 -0.250 N ATOM 22 H LIG 1 7.796 -0.213 -0.992 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 7.898 -1.170 0.851 0.00 0.00 +0.250 C ATOM 24 O LIG 1 7.369 -1.636 1.852 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 9.350 -1.437 0.643 0.00 0.00 +0.038 A ATOM 26 C LIG 1 9.874 -2.652 1.103 0.00 0.00 +0.033 A ATOM 27 C LIG 1 11.227 -2.929 0.925 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 11.873 -4.427 1.476 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 12.066 -2.005 0.303 0.00 0.00 +0.020 A ATOM 30 C LIG 1 11.550 -0.786 -0.139 0.00 0.00 +0.002 A ATOM 31 C LIG 1 10.194 -0.498 0.033 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 32 ATOM 32 O LIG 1 -4.320 2.156 -0.739 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.021 0.903 -0.707 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -6.507 1.202 -0.880 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -7.367 -0.062 -0.957 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 -7.237 -0.952 0.208 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -7.930 -2.235 -0.050 0.00 0.00 +0.112 C ATOM 38 C LIG 1 -7.861 -3.169 1.168 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -8.438 -2.550 2.324 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -7.746 -1.331 2.621 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -7.806 -0.352 1.436 0.00 0.00 +0.112 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10