REMARK Name = BDB008433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.847 3.379 0.977 0.00 0.00 +0.176 C ATOM 2 N LIG 1 2.214 2.110 0.621 0.00 0.00 -0.232 N ATOM 3 C LIG 1 3.096 1.012 0.556 0.00 0.00 +0.275 A ATOM 4 O LIG 1 4.303 1.178 0.792 0.00 0.00 -0.266 OA ATOM 5 C LIG 1 2.708 -0.375 0.231 0.00 0.00 +0.051 A ATOM 6 C LIG 1 3.691 -1.390 0.232 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.371 -2.717 -0.049 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.058 -3.085 -0.342 0.00 0.00 +0.026 A ATOM 9 C LIG 1 1.082 -2.077 -0.348 0.00 0.00 +0.050 A ATOM 10 N LIG 1 -0.278 -2.132 -0.599 0.00 0.00 -0.346 N ATOM 11 C LIG 1 -0.817 -0.881 -0.454 0.00 0.00 +0.029 A ATOM 12 C LIG 1 0.212 -0.010 -0.157 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -0.012 1.389 0.030 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -1.435 1.890 -0.234 0.00 0.00 +0.064 C ATOM 15 C LIG 1 -2.539 0.851 0.103 0.00 0.00 -0.024 C ATOM 16 C LIG 1 -3.895 1.388 -0.392 0.00 0.00 +0.011 C ATOM 17 C LIG 1 -2.633 0.658 1.632 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.256 -0.510 -0.599 0.00 0.00 +0.060 C ATOM 19 C LIG 1 -1.004 -3.334 -0.949 0.00 0.00 +0.149 C ATOM 20 C LIG 1 1.398 -0.741 -0.067 0.00 0.00 +0.021 A ATOM 21 N LIG 1 0.878 2.264 0.358 0.00 0.00 -0.173 NA ENDROOT TORSDOF 0