REMARK Name = BDB047239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.084 -1.190 -0.909 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -1.571 -0.842 0.447 0.00 0.00 +0.065 A ATOM 3 N LIG 1 -2.071 0.192 1.241 0.00 0.00 -0.291 N ATOM 4 C LIG 1 -1.621 -0.012 2.556 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -0.695 -1.057 2.531 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.045 -1.436 3.725 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.322 -0.774 4.927 0.00 0.00 +0.131 A ATOM 8 C LIG 1 -1.240 0.270 4.934 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -1.893 0.670 3.759 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -0.634 -1.522 1.201 0.00 0.00 +0.157 A ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -2.902 1.274 0.805 0.00 0.00 +0.189 A ATOM 12 C LIG 1 -2.893 1.970 -0.431 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -3.945 2.865 -0.295 0.00 0.00 +0.171 A ATOM 14 C LIG 1 -4.346 3.775 -1.270 0.00 0.00 +0.069 A ATOM 15 C LIG 1 -3.597 3.778 -2.447 0.00 0.00 +0.045 A ATOM 16 C LIG 1 -2.504 2.926 -2.620 0.00 0.00 +0.021 A ATOM 17 CL LIG 1 -4.019 4.874 -3.707 0.00 0.00 -0.083 Cl ATOM 18 O LIG 1 -4.506 2.727 0.935 0.00 0.00 -0.353 OA ATOM 19 C LIG 1 -2.131 2.021 -1.614 0.00 0.00 +0.017 A ATOM 20 N LIG 1 -3.831 1.749 1.644 0.00 0.00 -0.059 NA ENDBRANCH 3 11 BRANCH 7 21 ATOM 21 O LIG 1 0.377 -1.249 6.001 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 0.159 -0.634 7.258 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -1.127 -0.759 7.648 0.00 0.00 -0.133 F ATOM 24 F LIG 1 0.937 -1.245 8.179 0.00 0.00 -0.133 F ATOM 25 F LIG 1 0.497 0.673 7.227 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 7 21 BRANCH 10 26 ATOM 26 O LIG 1 0.110 -2.573 0.785 0.00 0.00 -0.454 OA BRANCH 26 27 ATOM 27 C LIG 1 0.864 -2.499 -0.363 0.00 0.00 +0.132 A ATOM 28 C LIG 1 1.521 -1.336 -0.772 0.00 0.00 +0.092 A ATOM 29 C LIG 1 2.284 -1.328 -1.944 0.00 0.00 +0.125 A ATOM 30 C LIG 1 2.402 -2.502 -2.691 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.762 -3.672 -2.267 0.00 0.00 +0.007 A ATOM 32 C LIG 1 0.997 -3.672 -1.102 0.00 0.00 +0.046 A BRANCH 29 33 ATOM 33 O LIG 1 2.853 -0.119 -2.235 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 3.641 0.004 -3.417 0.00 0.00 +0.278 C ATOM 35 C LIG 1 3.759 1.500 -3.701 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 5.049 -0.577 -3.277 0.00 0.00 +0.346 C ATOM 37 O LIG 1 5.590 -0.993 -2.267 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 5.710 -0.619 -4.456 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 6.581 -1.003 -4.217 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 9