REMARK Name = BDB041195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.270 -0.514 -0.576 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.259 -0.646 -1.433 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.650 -0.558 -0.849 0.00 0.00 +0.165 A ATOM 4 C LIG 1 -2.127 -1.523 -1.736 0.00 0.00 +0.184 A ATOM 5 C LIG 1 -3.497 -1.558 -1.888 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -4.345 -0.722 -1.257 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -3.801 0.167 -0.412 0.00 0.00 +0.164 A ATOM 8 N LIG 1 -2.476 0.281 -0.194 0.00 0.00 -0.209 NA BRANCH 7 9 ATOM 9 C LIG 1 -4.679 1.118 0.287 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -5.972 0.792 0.750 0.00 0.00 +0.055 A ATOM 11 N LIG 1 -6.744 1.713 1.407 0.00 0.00 -0.259 NA ATOM 12 C LIG 1 -6.260 2.954 1.609 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -5.011 3.359 1.197 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -4.220 2.430 0.534 0.00 0.00 +0.015 A BRANCH 10 15 ATOM 15 C LIG 1 -6.574 -0.600 0.605 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -7.426 -0.919 -0.605 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -8.065 -0.824 0.746 0.00 0.00 +0.010 C ENDBRANCH 10 15 ENDBRANCH 7 9 BRANCH 4 18 ATOM 18 O LIG 1 -1.209 -2.317 -2.361 0.00 0.00 -0.429 OA BRANCH 18 19 ATOM 19 C LIG 1 -1.694 -3.173 -3.379 0.00 0.00 +0.541 C ATOM 20 F LIG 1 -2.500 -4.111 -2.826 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -0.628 -3.828 -3.899 0.00 0.00 -0.166 F ENDBRANCH 18 19 ENDBRANCH 4 18 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 C LIG 1 0.177 0.639 0.189 0.00 0.00 +0.138 C BRANCH 22 26 ATOM 23 C LIG 1 4.493 0.428 0.543 0.00 0.00 +0.017 A ATOM 24 C LIG 1 3.893 1.365 -0.308 0.00 0.00 +0.012 A ATOM 25 C LIG 1 2.502 1.437 -0.427 0.00 0.00 +0.006 A ATOM 26 C LIG 1 1.683 0.581 0.319 0.00 0.00 -0.030 A ATOM 27 C LIG 1 2.281 -0.348 1.181 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.673 -0.418 1.300 0.00 0.00 +0.012 A BRANCH 23 31 ATOM 29 C LIG 1 6.291 -2.098 0.279 0.00 0.00 +0.150 C ATOM 30 N LIG 1 6.735 -0.752 0.553 0.00 0.00 -0.333 N ATOM 31 C LIG 1 5.954 0.382 0.641 0.00 0.00 +0.141 A ATOM 32 N LIG 1 6.728 1.445 0.778 0.00 0.00 -0.224 NA ATOM 33 C LIG 1 8.039 0.993 0.838 0.00 0.00 +0.162 A ATOM 34 C LIG 1 8.045 -0.383 0.700 0.00 0.00 +0.119 A BRANCH 33 35 ATOM 35 C LIG 1 9.202 1.924 1.016 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.267 2.866 0.038 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.391 1.259 0.986 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.163 2.583 2.204 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 23 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 9