REMARK Name = BDB050753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.757 1.396 0.475 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.233 2.298 1.421 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.738 3.542 1.502 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -2.233 1.904 2.300 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -2.680 2.758 3.231 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.786 0.626 2.231 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.349 -0.281 1.254 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.320 0.113 0.384 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 0.047 1.504 -1.686 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.273 1.780 -0.509 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.438 2.410 -0.083 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.058 2.160 1.226 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.116 1.040 1.126 0.00 0.00 +0.127 C ATOM 14 N LIG 1 4.073 1.310 0.037 0.00 0.00 -0.297 N ATOM 15 C LIG 1 3.477 1.658 -1.270 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.425 2.770 -1.103 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.109 0.378 -0.048 0.00 0.00 +0.218 A ATOM 18 N LIG 1 5.420 -0.354 1.036 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 6.447 -1.224 0.944 0.00 0.00 +0.128 A ATOM 20 C LIG 1 7.185 -1.409 -0.197 0.00 0.00 +0.091 A ATOM 21 C LIG 1 6.809 -0.621 -1.253 0.00 0.00 +0.128 A ATOM 22 N LIG 1 5.790 0.261 -1.201 0.00 0.00 -0.222 NA BRANCH 20 23 ATOM 23 C LIG 1 8.326 -2.353 -0.267 0.00 0.00 +0.420 C ATOM 24 F LIG 1 9.502 -1.777 0.101 0.00 0.00 -0.166 F ATOM 25 F LIG 1 8.529 -2.852 -1.518 0.00 0.00 -0.166 F ATOM 26 F LIG 1 8.171 -3.436 0.543 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 -2.945 -1.667 1.154 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.467 -1.667 1.085 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -5.157 -1.339 -0.190 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.550 -1.344 -0.176 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.278 -1.041 -1.334 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.604 -0.731 -2.514 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.210 -0.725 -2.535 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.256 -1.671 1.073 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -8.481 -1.693 1.130 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.464 -1.950 2.159 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -6.936 -2.178 3.029 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -4.485 -1.028 -1.378 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -5.105 -1.950 2.183 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 5