REMARK Name = BDB010240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.574 -0.291 1.734 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.182 -0.345 1.723 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.505 -0.423 2.924 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.852 -0.472 2.731 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -2.034 -0.388 1.427 0.00 0.00 +0.151 A ATOM 6 N LIG 1 0.073 -0.439 4.133 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.405 -0.343 4.064 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.816 -0.291 0.769 0.00 0.00 -0.316 N ATOM 9 N LIG 1 2.161 -0.264 2.945 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.347 -0.248 0.578 0.00 0.00 -0.324 N ATOM 11 H LIG 1 2.055 -0.961 -0.082 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 4.375 0.438 -0.535 0.00 0.00 +0.028 C ATOM 13 C LIG 1 3.810 -0.209 0.732 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 4.380 -1.617 0.994 0.00 0.00 +0.009 C ATOM 15 C LIG 1 4.350 -2.692 -0.125 0.00 0.00 +0.005 C ATOM 16 C LIG 1 5.854 -2.458 -0.346 0.00 0.00 +0.001 C ATOM 17 C LIG 1 5.919 -1.802 1.044 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 18 ATOM 18 C LIG 1 2.131 -0.331 5.384 0.00 0.00 +0.375 C ATOM 19 O LIG 1 1.636 -0.381 6.498 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 3.478 -0.259 5.256 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 3.796 -0.258 6.182 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 7 18 BRANCH 5 22 ATOM 22 C LIG 1 -3.377 -0.331 0.768 0.00 0.00 +0.303 C BRANCH 22 23 ATOM 23 O LIG 1 -3.428 -1.382 -0.195 0.00 0.00 -0.484 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.523 -1.414 -1.014 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -4.465 -2.374 -2.028 0.00 0.00 +0.045 A ATOM 26 C LIG 1 -5.510 -2.507 -2.943 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.625 -1.679 -2.845 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.695 -0.725 -1.832 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.647 -0.592 -0.915 0.00 0.00 +0.045 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 BRANCH 8 30 ATOM 30 C LIG 1 -0.645 -0.123 -0.668 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -0.942 1.283 -1.130 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.175 2.367 -0.679 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -0.451 3.665 -1.117 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.490 3.905 -2.027 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -2.253 2.821 -2.482 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.977 1.523 -2.045 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -1.806 5.308 -2.486 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -0.747 6.159 -2.391 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.207 5.361 -3.788 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.810 5.875 -1.763 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 11