REMARK Name = BDB061359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.809 1.988 -0.230 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -0.538 1.762 -0.583 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.235 0.562 -1.071 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -1.108 -0.441 -1.202 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.384 -0.229 -0.845 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.771 1.003 -0.358 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.283 -1.258 -1.008 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -2.808 -2.562 -1.468 0.00 0.00 +0.125 C ATOM 9 C LIG 1 -4.090 -3.435 -1.465 0.00 0.00 +0.075 C ATOM 10 C LIG 1 -4.793 -2.891 -0.213 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -4.528 -1.384 -0.265 0.00 0.00 +0.108 C BRANCH 9 12 ATOM 12 N LIG 1 -3.874 -4.897 -1.435 0.00 0.00 -0.304 NA ATOM 13 C LIG 1 -5.142 -5.629 -1.402 0.00 0.00 +0.104 C ATOM 14 C LIG 1 -3.086 -5.339 -2.590 0.00 0.00 +0.104 C ENDBRANCH 9 12 ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 N LIG 1 -2.215 3.243 0.288 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -2.796 3.104 1.104 0.00 0.00 +0.155 HD BRANCH 15 22 ATOM 17 C LIG 1 -0.689 7.839 1.306 0.00 0.00 +0.065 C ATOM 18 C LIG 1 -0.945 6.497 0.744 0.00 0.00 +0.035 A ATOM 19 N LIG 1 -0.332 6.046 -0.390 0.00 0.00 -0.280 N ATOM 20 H LIG 1 0.345 6.526 -0.974 0.00 0.00 +0.189 HD ATOM 21 N LIG 1 -0.707 4.815 -0.752 0.00 0.00 -0.158 NA ATOM 22 C LIG 1 -1.555 4.422 0.200 0.00 0.00 +0.146 A ATOM 23 C LIG 1 -1.757 5.459 1.147 0.00 0.00 +0.068 A ENDBRANCH 15 22 ENDBRANCH 1 15 BRANCH 3 24 ATOM 24 N LIG 1 1.104 0.380 -1.406 0.00 0.00 -0.309 N ATOM 25 H LIG 1 1.576 1.156 -0.945 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 1.631 -0.949 -1.102 0.00 0.00 +0.092 C ATOM 27 C LIG 1 1.833 -1.182 0.403 0.00 0.00 +0.130 C ATOM 28 N LIG 1 3.165 -0.660 0.693 0.00 0.00 -0.296 N ATOM 29 C LIG 1 3.631 -0.605 1.989 0.00 0.00 +0.249 C ATOM 30 O LIG 1 2.998 -1.029 2.953 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 3.902 -0.398 -0.535 0.00 0.00 +0.110 C ATOM 32 C LIG 1 3.067 -1.047 -1.632 0.00 0.00 +0.043 C BRANCH 29 33 ATOM 33 C LIG 1 4.980 -0.070 2.239 0.00 0.00 +0.073 A ATOM 34 C LIG 1 5.315 1.236 1.892 0.00 0.00 +0.154 A ATOM 35 F LIG 1 4.410 2.036 1.305 0.00 0.00 -0.203 F ATOM 36 C LIG 1 6.593 1.718 2.167 0.00 0.00 +0.077 A ATOM 37 CL LIG 1 7.036 3.324 1.731 0.00 0.00 -0.081 Cl ATOM 38 C LIG 1 7.533 0.901 2.802 0.00 0.00 +0.023 A ATOM 39 C LIG 1 7.189 -0.400 3.173 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.909 -0.886 2.898 0.00 0.00 +0.016 A ENDBRANCH 29 33 ENDBRANCH 24 26 ENDBRANCH 3 24 TORSDOF 7