REMARK Name = BDB035540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.130 -0.693 1.212 0.00 0.00 -0.032 A ATOM 2 C LIG 1 0.003 -0.293 0.452 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.323 -0.459 0.881 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.530 -1.077 2.120 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.452 -1.504 2.895 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.852 -1.315 2.444 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.425 -0.030 0.090 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -2.362 0.685 -1.110 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -1.416 1.133 -1.732 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.744 0.867 -1.571 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.199 1.500 -2.713 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.577 1.538 -2.924 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.459 0.949 -1.998 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.981 0.310 -0.838 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -4.602 0.282 -0.647 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -3.803 -0.311 0.468 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -6.914 -0.322 0.160 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -6.700 -1.660 0.289 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -6.761 0.199 1.409 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.231 -0.177 -0.150 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 21 C LIG 1 3.511 1.458 1.192 0.00 0.00 +0.120 C ATOM 22 C LIG 1 3.688 0.029 1.739 0.00 0.00 +0.051 C ATOM 23 C LIG 1 2.654 -0.478 0.678 0.00 0.00 +0.060 C ATOM 24 C LIG 1 2.920 0.856 -0.097 0.00 0.00 +0.051 C BRANCH 23 25 ATOM 25 C LIG 1 3.160 -1.804 -0.061 0.00 0.00 +0.144 A ATOM 26 N LIG 1 4.277 -2.021 -0.830 0.00 0.00 -0.320 N ATOM 27 C LIG 1 5.326 -1.118 -1.217 0.00 0.00 +0.151 C ATOM 28 C LIG 1 4.239 -3.337 -1.189 0.00 0.00 +0.224 A ATOM 29 N LIG 1 3.183 -3.908 -0.667 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 2.511 -2.950 0.046 0.00 0.00 -0.134 NA ENDBRANCH 23 25 BRANCH 21 32 ATOM 31 C LIG 1 4.583 3.542 0.570 0.00 0.00 +0.194 C ATOM 32 O LIG 1 4.736 2.207 1.034 0.00 0.00 -0.380 OA ENDBRANCH 21 32 ENDBRANCH 1 23 TORSDOF 5