REMARK Name = BDB009393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.402 1.639 1.786 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.837 2.673 2.607 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.235 2.926 3.777 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.889 3.488 2.204 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.519 3.256 0.978 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.110 2.196 0.150 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.032 1.395 0.559 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.287 1.958 -0.703 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.739 0.892 -0.430 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.482 0.813 0.163 0.00 0.00 -0.295 N ATOM 11 C LIG 1 2.941 -0.396 0.803 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.977 -0.083 1.956 0.00 0.00 +0.127 C ATOM 13 N LIG 1 0.906 0.833 1.557 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.306 0.769 2.234 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.531 -0.002 3.162 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.246 1.849 0.549 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.757 2.062 0.402 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.462 -0.362 -0.748 0.00 0.00 +0.039 A ATOM 19 C LIG 1 6.770 -0.508 -0.268 0.00 0.00 +0.039 A ATOM 20 C LIG 1 7.441 -1.696 -0.585 0.00 0.00 +0.047 A ATOM 21 C LIG 1 6.864 -2.704 -1.359 0.00 0.00 -0.000 A ATOM 22 C LIG 1 7.825 -3.746 -1.471 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.949 -3.357 -0.779 0.00 0.00 +0.083 A ATOM 24 C LIG 1 5.557 -2.521 -1.854 0.00 0.00 +0.011 A ATOM 25 N LIG 1 8.709 -2.115 -0.253 0.00 0.00 -0.361 N ATOM 26 H LIG 1 9.365 -1.579 0.299 0.00 0.00 +0.165 HD ATOM 27 C LIG 1 4.867 -1.341 -1.549 0.00 0.00 +0.014 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 -3.800 1.970 -1.178 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -4.052 0.504 -1.507 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -5.178 -0.215 -0.816 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -5.948 0.405 0.164 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -5.447 1.122 0.685 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -6.831 -0.395 1.010 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -7.528 -1.453 0.158 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -6.507 -2.306 -0.608 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -5.397 -1.482 -1.199 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -4.525 -2.120 -2.210 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -4.698 -3.279 -2.574 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -3.506 -1.347 -2.701 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -2.904 -1.767 -3.401 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -3.264 -0.046 -2.384 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4