REMARK Name = BDB011236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.875 0.364 -0.789 0.00 0.00 +0.054 A ATOM 2 N LIG 1 0.755 -0.452 -0.576 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -0.348 0.328 -0.767 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.829 0.179 -0.719 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.222 1.532 -1.224 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.117 2.400 -1.387 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -1.093 3.579 -1.700 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.038 1.585 -1.136 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.429 1.636 -1.143 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.574 1.975 -1.246 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.623 1.206 -1.796 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.409 -0.059 -2.581 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.950 1.665 -1.676 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.237 2.886 -1.072 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.198 3.668 -0.587 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.545 5.183 0.152 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.880 3.224 -0.676 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.372 -0.098 0.675 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.053 0.728 1.770 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.572 0.467 3.041 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.418 -0.621 3.232 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.056 -0.946 4.796 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.750 -1.450 2.163 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.231 -1.190 0.892 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 28 ATOM 25 C LIG 1 5.936 -0.949 -0.559 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.257 -0.611 0.615 0.00 0.00 +0.092 A ATOM 27 C LIG 1 3.926 -0.168 0.567 0.00 0.00 +0.133 A ATOM 28 C LIG 1 3.268 -0.085 -0.676 0.00 0.00 +0.040 A ATOM 29 C LIG 1 3.957 -0.417 -1.848 0.00 0.00 +0.017 A ATOM 30 C LIG 1 5.281 -0.848 -1.787 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 7.970 -1.466 0.568 0.00 0.00 +0.277 C ATOM 32 O LIG 1 7.229 -1.392 -0.643 0.00 0.00 -0.495 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 3.189 0.180 1.671 0.00 0.00 -0.494 OA ATOM 34 C LIG 1 3.890 0.391 2.889 0.00 0.00 +0.277 C ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 0.811 -1.881 -0.266 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -0.082 -2.731 -1.171 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.553 -2.173 1.211 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6