REMARK Name = BDB009536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.359 -0.161 1.210 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.069 -0.672 1.117 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.498 -1.319 2.200 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.770 -1.726 1.924 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -2.005 -1.371 0.676 0.00 0.00 +0.116 A ATOM 6 N LIG 1 0.123 -1.520 3.370 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.372 -1.036 3.375 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.893 -0.750 0.133 0.00 0.00 -0.319 N ATOM 9 N LIG 1 2.003 -0.380 2.371 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.298 -1.630 -0.060 0.00 0.00 +0.055 C ATOM 11 C LIG 1 -4.521 -1.379 0.848 0.00 0.00 +0.011 C ATOM 12 C LIG 1 -5.043 -2.662 1.488 0.00 0.00 +0.001 C ATOM 13 C LIG 1 -5.473 -3.688 0.439 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -4.696 -3.582 -0.874 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -3.285 -3.051 -0.655 0.00 0.00 +0.011 C ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 1.958 0.551 0.171 0.00 0.00 -0.324 N ATOM 17 H LIG 1 1.304 1.255 -0.161 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 3.482 2.311 -0.515 0.00 0.00 +0.028 C ATOM 19 C LIG 1 3.296 1.113 0.423 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 4.376 0.031 0.224 0.00 0.00 +0.009 C ATOM 21 C LIG 1 5.872 0.439 0.255 0.00 0.00 +0.005 C ATOM 22 C LIG 1 5.913 0.289 -1.276 0.00 0.00 +0.001 C ATOM 23 C LIG 1 4.628 -0.553 -1.191 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 2.148 -1.240 4.651 0.00 0.00 +0.375 C ATOM 25 O LIG 1 1.765 -1.805 5.663 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 3.398 -0.719 4.611 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 3.764 -0.932 5.493 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -0.718 -0.367 -1.263 0.00 0.00 +0.158 C BRANCH 28 29 ATOM 29 C LIG 1 -0.867 1.118 -1.511 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -1.787 1.917 -0.818 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -1.898 3.283 -1.096 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -1.098 3.881 -2.079 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -0.197 3.080 -2.793 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.087 1.716 -2.515 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -1.239 5.352 -2.387 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -0.139 5.882 -2.991 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.284 5.608 -3.220 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.451 6.109 -1.275 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9