REMARK Name = BDB039956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.698 0.860 -0.658 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.145 -0.391 -0.221 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.574 -1.287 0.372 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.557 -0.501 -0.608 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.431 -1.552 -0.396 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.750 -1.419 -0.854 0.00 0.00 -0.032 A ATOM 7 C LIG 1 5.130 -0.233 -1.531 0.00 0.00 +0.017 A ATOM 8 C LIG 1 4.227 0.828 -1.740 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.931 0.666 -1.261 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.763 1.596 -1.328 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -2.968 1.163 0.294 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.641 0.679 0.124 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.611 1.397 -0.507 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.917 2.672 -0.990 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.196 3.199 -0.839 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.196 2.459 -0.205 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.098 0.250 1.055 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -4.089 -1.282 0.793 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -4.052 -1.567 2.213 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -3.708 -0.188 2.496 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -5.526 0.835 1.029 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -6.276 0.227 2.001 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 -8.064 -0.891 0.366 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -7.330 -0.053 -0.545 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -6.217 0.713 -0.293 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -5.889 1.337 -1.408 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 -6.773 0.970 -2.391 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.632 0.135 -1.859 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 4.637 2.089 -2.452 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.462 3.196 -1.678 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.904 2.305 -3.578 0.00 0.00 -0.166 F ATOM 32 F LIG 1 5.941 2.103 -2.840 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.747 -2.546 -0.660 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.580 -2.586 0.542 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 5.844 -2.525 1.823 0.00 0.00 +0.086 C ATOM 36 C LIG 1 7.042 -1.717 2.372 0.00 0.00 +0.031 C ATOM 37 C LIG 1 7.264 -1.325 0.894 0.00 0.00 +0.086 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7