REMARK Name = BDB034546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.580 0.784 -0.298 0.00 0.00 +0.032 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.540 1.014 2.853 0.00 0.00 +0.137 C ATOM 3 C LIG 1 -3.691 -0.406 2.298 0.00 0.00 +0.138 C ATOM 4 N LIG 1 -3.524 -0.250 0.848 0.00 0.00 -0.308 N ATOM 5 C LIG 1 -2.841 1.014 0.547 0.00 0.00 +0.078 C ATOM 6 C LIG 1 -2.484 1.592 1.925 0.00 0.00 +0.055 C BRANCH 4 7 ATOM 7 C LIG 1 -4.176 -1.093 -0.036 0.00 0.00 +0.143 A ATOM 8 N LIG 1 -4.609 -2.245 0.414 0.00 0.00 -0.156 NA ATOM 9 N LIG 1 -5.243 -3.087 -0.445 0.00 0.00 -0.241 N ATOM 10 H LIG 1 -5.541 -3.979 -0.065 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 -5.477 -2.858 -1.774 0.00 0.00 +0.277 A ATOM 12 O LIG 1 -6.035 -3.684 -2.485 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -5.026 -1.558 -2.281 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -4.404 -0.707 -1.456 0.00 0.00 +0.063 A BRANCH 13 15 ATOM 15 C LIG 1 -5.327 -1.300 -3.703 0.00 0.00 +0.423 C ATOM 16 F LIG 1 -4.718 -2.174 -4.542 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -6.657 -1.325 -3.974 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -4.899 -0.062 -4.082 0.00 0.00 -0.166 F ENDBRANCH 13 15 ENDBRANCH 4 7 BRANCH 2 20 ATOM 19 C LIG 1 -4.045 0.664 5.140 0.00 0.00 +0.194 C ATOM 20 O LIG 1 -3.068 1.078 4.193 0.00 0.00 -0.378 OA ENDBRANCH 2 20 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.847 2.087 -0.610 0.00 0.00 +0.098 C BRANCH 21 22 ATOM 22 C LIG 1 0.223 1.864 -1.661 0.00 0.00 +0.216 C ATOM 23 N LIG 1 1.441 1.343 -1.267 0.00 0.00 -0.298 N ATOM 24 C LIG 1 2.436 1.023 -2.297 0.00 0.00 +0.126 C ATOM 25 C LIG 1 3.306 -0.197 -1.942 0.00 0.00 +0.127 C ATOM 26 N LIG 1 3.882 -0.084 -0.600 0.00 0.00 -0.297 N ATOM 27 C LIG 1 3.387 0.960 0.290 0.00 0.00 +0.127 C ATOM 28 C LIG 1 1.864 1.133 0.125 0.00 0.00 +0.126 C ATOM 29 O LIG 1 -0.037 2.112 -2.841 0.00 0.00 -0.276 OA BRANCH 26 30 ATOM 30 C LIG 1 5.143 -0.593 -0.383 0.00 0.00 +0.218 A ATOM 31 N LIG 1 5.820 -0.210 0.713 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 7.044 -0.739 0.919 0.00 0.00 +0.128 A ATOM 33 C LIG 1 7.630 -1.649 0.077 0.00 0.00 +0.091 A ATOM 34 C LIG 1 6.877 -1.979 -1.019 0.00 0.00 +0.128 A ATOM 35 N LIG 1 5.650 -1.473 -1.262 0.00 0.00 -0.222 NA BRANCH 33 36 ATOM 36 C LIG 1 8.986 -2.199 0.311 0.00 0.00 +0.420 C ATOM 37 F LIG 1 9.316 -2.264 1.631 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.141 -3.462 -0.172 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.958 -1.452 -0.280 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 26 30 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8