REMARK Name = BDB065323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.201 0.776 2.272 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.942 2.142 2.289 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.311 2.602 2.421 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.983 3.053 2.156 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.294 2.591 2.005 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.571 1.213 1.982 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.512 0.305 2.147 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 3.857 0.072 1.725 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.149 -0.990 0.883 0.00 0.00 +0.104 C ATOM 10 N LIG 1 2.904 -0.511 -0.466 0.00 0.00 -0.308 N ATOM 11 C LIG 1 1.695 -0.012 -0.876 0.00 0.00 +0.151 A ATOM 12 N LIG 1 1.771 0.291 -2.152 0.00 0.00 -0.133 NA ATOM 13 N LIG 1 3.040 -0.018 -2.581 0.00 0.00 -0.133 NA ATOM 14 C LIG 1 0.510 0.104 0.014 0.00 0.00 +0.184 C ATOM 15 N LIG 1 0.797 -0.360 1.380 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.102 -0.186 2.431 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.046 -0.811 3.487 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.729 -0.496 -1.560 0.00 0.00 +0.148 A ATOM 19 C LIG 1 1.814 -1.406 1.521 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 5.148 -0.979 -1.583 0.00 0.00 +0.160 C BRANCH 20 21 ATOM 21 N LIG 1 6.095 0.001 -2.144 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 7.400 -0.619 -2.369 0.00 0.00 +0.105 C ATOM 23 C LIG 1 6.235 1.187 -1.302 0.00 0.00 +0.105 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 24 ATOM 24 C LIG 1 -4.998 0.728 1.837 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -5.152 -0.426 0.854 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.084 -0.174 -0.609 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.199 -1.280 -1.449 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.130 -1.131 -2.840 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -4.945 0.135 -3.392 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.833 1.246 -2.557 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.395 -2.615 -0.859 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.505 -3.615 -1.559 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -5.447 -2.667 0.512 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -5.582 -3.579 0.937 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -4.903 1.096 -1.169 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -5.324 -1.612 1.360 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5