REMARK Name = BDB020475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.147 0.607 -0.466 0.00 0.00 +0.117 A ATOM 2 N LIG 1 -2.456 -0.536 0.232 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -3.595 -0.871 1.072 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -3.181 -1.798 2.221 0.00 0.00 +0.238 C ATOM 5 N LIG 1 -2.042 -2.578 2.040 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -1.431 -2.738 0.730 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -1.706 -3.570 3.046 0.00 0.00 +0.132 C ATOM 8 O LIG 1 -3.873 -1.867 3.239 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -4.709 -1.546 0.276 0.00 0.00 +0.041 C ATOM 10 C LIG 1 -1.429 -1.433 0.044 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -0.561 -0.809 -0.821 0.00 0.00 +0.094 A ATOM 12 N LIG 1 -1.016 0.445 -1.127 0.00 0.00 -0.232 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 0.678 -1.359 -1.336 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.934 -0.744 -1.068 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.107 -1.322 -1.591 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.330 -0.812 -1.376 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.462 0.302 -0.614 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.378 0.977 -0.070 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.007 -2.472 -2.361 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.780 -3.075 -2.634 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.109 0.426 -0.297 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.615 -2.518 -2.122 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.839 0.729 -0.461 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.471 1.040 0.726 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.765 1.334 0.402 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.822 1.714 1.307 0.00 0.00 +0.172 C ATOM 27 N LIG 1 8.025 1.229 -0.913 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.863 0.819 -1.430 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.518 2.242 0.719 0.00 0.00 +0.374 C ATOM 30 F LIG 1 2.350 2.944 0.818 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.904 2.016 2.007 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 11 13 BRANCH 1 36 ATOM 32 C LIG 1 -7.177 2.279 -0.407 0.00 0.00 +0.109 C ATOM 33 C LIG 1 -6.058 2.537 0.565 0.00 0.00 +0.212 C ATOM 34 N LIG 1 -4.818 2.134 0.145 0.00 0.00 -0.300 N ATOM 35 C LIG 1 -3.533 2.569 0.682 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -2.905 1.979 -0.583 0.00 0.00 +0.090 C ATOM 37 C LIG 1 -4.306 1.922 -1.201 0.00 0.00 +0.120 C ATOM 38 O LIG 1 -6.250 3.075 1.652 0.00 0.00 -0.276 OA ENDBRANCH 1 36 TORSDOF 4