REMARK Name = BDB021325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.572 0.701 0.226 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.198 1.974 -0.290 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.096 2.393 -0.044 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.229 3.643 -0.608 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.007 3.910 -1.182 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.034 1.615 0.668 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.672 0.449 1.131 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.870 2.874 -0.985 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.385 0.020 0.892 0.00 0.00 +0.126 A ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 7.876 -2.515 0.426 0.00 0.00 +0.132 C ATOM 11 N LIG 1 6.511 -2.055 0.605 0.00 0.00 -0.300 N ATOM 12 C LIG 1 5.765 -1.743 -0.535 0.00 0.00 +0.247 C ATOM 13 O LIG 1 6.146 -1.979 -1.678 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 4.437 -1.096 -0.315 0.00 0.00 +0.040 A ATOM 15 C LIG 1 3.905 -0.971 0.977 0.00 0.00 -0.033 A ATOM 16 C LIG 1 2.638 -0.393 1.151 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.905 0.081 0.050 0.00 0.00 -0.013 A ATOM 18 C LIG 1 2.463 -0.029 -1.232 0.00 0.00 +0.009 A ATOM 19 C LIG 1 4.673 -1.505 2.154 0.00 0.00 +0.055 C ATOM 20 C LIG 1 3.716 -0.621 -1.415 0.00 0.00 +0.014 A ATOM 21 C LIG 1 6.171 -1.438 1.878 0.00 0.00 +0.112 C ENDBRANCH 1 17 BRANCH 5 22 ATOM 22 C LIG 1 0.371 5.090 -1.898 0.00 0.00 +0.121 C ATOM 23 N LIG 1 0.637 6.064 -2.473 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.304 2.118 0.856 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.598 2.894 0.273 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.423 1.277 1.245 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.046 0.637 0.038 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.999 -0.731 -0.204 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.436 -1.836 0.610 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -4.481 -2.957 -0.427 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -5.488 -2.641 -1.415 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -5.606 -1.278 -1.330 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.280 -0.507 -2.256 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -6.327 0.869 -2.042 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.715 1.423 -0.911 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.770 2.753 -0.740 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 5