REMARK Name = BDB026530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 -0.993 2.300 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -1.905 -1.331 1.160 0.00 0.00 +0.034 C ATOM 3 C LIG 1 -3.033 -0.298 1.047 0.00 0.00 +0.086 C ATOM 4 N LIG 1 -2.477 1.039 0.802 0.00 0.00 -0.298 NA ATOM 5 C LIG 1 -1.595 1.452 1.903 0.00 0.00 +0.086 C ATOM 6 C LIG 1 -0.436 0.464 2.083 0.00 0.00 +0.034 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.613 -1.088 3.668 0.00 0.00 +0.311 C ATOM 8 O LIG 1 -1.557 -0.225 4.532 0.00 0.00 -0.250 OA BRANCH 7 9 ATOM 9 O LIG 1 -2.283 -2.241 3.893 0.00 0.00 -0.480 OA ATOM 10 H LIG 1 -2.240 -2.915 3.191 0.00 0.00 +0.295 HD ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 1 11 ATOM 11 C LIG 1 0.283 -1.970 2.389 0.00 0.00 +0.076 C BRANCH 11 14 ATOM 12 C LIG 1 2.953 -1.349 -0.093 0.00 0.00 +0.124 A ATOM 13 N LIG 1 2.168 -1.248 1.008 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 1.132 -2.114 1.153 0.00 0.00 +0.079 A ATOM 15 C LIG 1 0.856 -3.102 0.218 0.00 0.00 +0.145 A ATOM 16 F LIG 1 -0.175 -3.942 0.389 0.00 0.00 -0.204 F ATOM 17 C LIG 1 1.654 -3.209 -0.905 0.00 0.00 +0.043 A ATOM 18 C LIG 1 2.716 -2.319 -1.062 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 19 N LIG 1 3.985 -0.415 -0.155 0.00 0.00 -0.283 N ATOM 20 H LIG 1 3.922 0.162 0.675 0.00 0.00 +0.155 HD BRANCH 19 26 ATOM 21 C LIG 1 7.908 1.627 -2.352 0.00 0.00 +0.065 C ATOM 22 C LIG 1 6.737 0.815 -1.961 0.00 0.00 +0.035 A ATOM 23 N LIG 1 6.268 -0.215 -2.724 0.00 0.00 -0.280 N ATOM 24 H LIG 1 6.628 -0.553 -3.610 0.00 0.00 +0.189 HD ATOM 25 N LIG 1 5.197 -0.830 -2.201 0.00 0.00 -0.158 NA ATOM 26 C LIG 1 4.958 -0.182 -1.058 0.00 0.00 +0.146 A ATOM 27 C LIG 1 5.901 0.860 -0.868 0.00 0.00 +0.068 A ENDBRANCH 19 26 ENDBRANCH 12 19 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 -3.549 2.038 0.617 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 C LIG 1 -4.273 1.889 -0.701 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -5.667 1.780 -0.741 0.00 0.00 +0.146 A ATOM 31 F LIG 1 -6.359 1.790 0.409 0.00 0.00 -0.204 F ATOM 32 C LIG 1 -6.340 1.659 -1.957 0.00 0.00 +0.076 A ATOM 33 CL LIG 1 -8.056 1.518 -1.999 0.00 0.00 -0.081 Cl ATOM 34 C LIG 1 -5.626 1.651 -3.155 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -4.236 1.765 -3.132 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.563 1.886 -1.914 0.00 0.00 +0.008 A ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 8