REMARK Name = BDB008793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.329 -1.212 0.012 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.414 -0.393 -0.643 0.00 0.00 -0.314 N ATOM 3 C LIG 1 0.802 -1.051 -0.679 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.528 -2.283 -0.116 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.416 -3.282 0.002 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.613 -2.944 -0.514 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.974 -1.773 -1.072 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.083 -0.770 -1.154 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.759 -2.372 0.306 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -6.692 0.273 1.377 0.00 0.00 +0.045 C ATOM 11 C LIG 1 -5.315 -0.208 1.025 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.949 -1.565 1.040 0.00 0.00 -0.038 A ATOM 13 C LIG 1 -3.626 -1.890 0.692 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -2.726 -0.886 0.343 0.00 0.00 +0.107 A ATOM 15 N LIG 1 -3.065 0.418 0.336 0.00 0.00 -0.252 NA ATOM 16 C LIG 1 -4.339 0.723 0.672 0.00 0.00 +0.115 A BRANCH 12 17 ATOM 17 C LIG 1 -5.924 -2.671 1.422 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -5.456 -3.430 2.668 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -6.165 -3.634 0.255 0.00 0.00 +0.012 C ENDBRANCH 12 17 ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 3.655 -4.027 -0.428 0.00 0.00 +0.375 C ATOM 21 O LIG 1 4.808 -3.947 -0.819 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 3.146 -5.147 0.161 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 2.202 -5.000 0.404 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 2.432 0.458 -1.689 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.988 1.214 -1.179 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.825 0.798 -2.026 0.00 0.00 +0.072 C ATOM 27 C LIG 1 4.386 -0.075 -3.144 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.725 0.927 -0.792 0.00 0.00 +0.009 C ATOM 29 C LIG 1 5.474 -0.280 -0.153 0.00 0.00 +0.005 C ATOM 30 C LIG 1 6.606 0.707 0.200 0.00 0.00 +0.001 C ATOM 31 C LIG 1 6.133 1.562 -0.993 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.713 0.854 -1.342 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.285 2.103 -0.599 0.00 0.00 -0.025 A ATOM 34 C LIG 1 0.123 3.224 -1.340 0.00 0.00 +0.044 A ATOM 35 C LIG 1 0.507 4.399 -0.696 0.00 0.00 +0.135 A ATOM 36 F LIG 1 0.900 5.439 -1.442 0.00 0.00 -0.205 F ATOM 37 C LIG 1 0.490 4.504 0.690 0.00 0.00 +0.090 A ATOM 38 C LIG 1 0.062 3.399 1.436 0.00 0.00 +0.015 A ATOM 39 C LIG 1 -0.326 2.215 0.798 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 0.905 5.792 1.335 0.00 0.00 +0.420 C ATOM 41 F LIG 1 0.060 6.821 1.052 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.947 5.716 2.696 0.00 0.00 -0.166 F ATOM 43 F LIG 1 2.148 6.200 0.957 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10