REMARK Name = BDB034260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.413 1.205 -1.514 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 4.795 -0.852 0.321 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.839 0.528 0.182 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.781 1.271 0.381 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.507 0.952 -0.261 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.728 -0.186 -0.442 0.00 0.00 -0.015 A ATOM 7 C LIG 1 1.416 -0.069 -0.865 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.890 1.212 -1.097 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.699 2.350 -0.916 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.027 2.225 -0.491 0.00 0.00 +0.017 A ATOM 11 C LIG 1 3.529 -1.408 -0.141 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 8.329 -5.039 0.262 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.706 -3.988 0.374 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.536 -3.148 -0.698 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.884 -3.510 -1.576 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.558 -2.187 -0.820 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.182 -1.825 -1.932 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.002 -1.647 0.509 0.00 0.00 +0.163 C ATOM 19 C LIG 1 5.787 -2.814 1.468 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.108 -3.538 1.686 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.135 2.443 -1.609 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.656 2.205 -1.276 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -3.427 3.515 -1.595 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -3.222 3.992 -3.029 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.750 4.207 -3.333 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.956 2.944 -3.052 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.856 1.875 0.164 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.261 1.539 0.496 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -3.929 0.035 0.463 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -2.456 0.486 0.494 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.483 -0.916 1.629 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -5.196 -2.122 1.380 0.00 0.00 +0.058 A ATOM 33 C LIG 1 -5.658 -2.917 2.451 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.431 -2.545 3.771 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.739 -1.374 4.040 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.277 -0.580 2.988 0.00 0.00 +0.004 A BRANCH 32 37 ATOM 37 C LIG 1 -5.473 -2.580 -0.037 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -6.172 -3.749 -0.109 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.333 -2.794 -0.752 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -6.202 -1.675 -0.749 0.00 0.00 -0.166 F ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 1 21 TORSDOF 6