REMARK Name = BDB059862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.418 -2.270 -1.964 0.00 0.00 +0.162 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.131 -4.608 -3.065 0.00 0.00 +0.065 C ATOM 3 C LIG 1 3.514 -3.701 -1.958 0.00 0.00 +0.036 A ATOM 4 N LIG 1 2.732 -2.676 -1.467 0.00 0.00 -0.323 N ATOM 5 C LIG 1 3.439 -2.052 -0.455 0.00 0.00 +0.141 A ATOM 6 N LIG 1 4.606 -2.643 -0.280 0.00 0.00 -0.236 NA ATOM 7 C LIG 1 4.661 -3.656 -1.196 0.00 0.00 +0.134 A BRANCH 5 8 ATOM 8 C LIG 1 2.966 -0.901 0.308 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.223 -1.081 1.477 0.00 0.00 +0.015 A ATOM 10 C LIG 1 1.774 0.027 2.201 0.00 0.00 +0.046 A ATOM 11 C LIG 1 2.065 1.327 1.775 0.00 0.00 +0.130 A ATOM 12 C LIG 1 2.825 1.506 0.617 0.00 0.00 +0.046 A ATOM 13 C LIG 1 3.274 0.397 -0.111 0.00 0.00 +0.015 A BRANCH 11 14 ATOM 14 O LIG 1 1.553 2.310 2.572 0.00 0.00 -0.406 OA BRANCH 14 15 ATOM 15 C LIG 1 1.750 3.654 2.171 0.00 0.00 +0.575 C ATOM 16 F LIG 1 1.157 4.470 3.070 0.00 0.00 -0.133 F ATOM 17 F LIG 1 1.199 3.889 0.960 0.00 0.00 -0.133 F ATOM 18 F LIG 1 3.064 3.964 2.133 0.00 0.00 -0.133 F ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 0.281 -2.619 -1.025 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.802 -1.731 -0.864 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -1.845 -2.064 0.006 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -1.832 -3.274 0.702 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -0.783 -4.168 0.527 0.00 0.00 +0.001 A ATOM 24 C LIG 1 0.262 -3.848 -0.337 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 -0.749 -0.589 -1.617 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.657 0.482 -1.347 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 -1.156 1.325 -0.176 0.00 0.00 +0.041 C BRANCH 27 28 ATOM 28 C LIG 1 -1.973 2.596 0.071 0.00 0.00 +0.007 C BRANCH 28 29 ATOM 29 C LIG 1 -3.437 2.372 0.503 0.00 0.00 -0.003 C ATOM 30 C LIG 1 -3.558 1.567 1.799 0.00 0.00 +0.008 C BRANCH 29 31 ATOM 31 C LIG 1 -4.217 3.700 0.582 0.00 0.00 +0.123 C BRANCH 31 32 ATOM 32 C LIG 1 -3.759 4.679 1.636 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -2.838 4.562 2.423 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.517 5.794 1.635 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -4.128 6.345 2.346 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 1 19 TORSDOF 13