REMARK Name = BDB019209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.086 -0.406 0.246 0.00 0.00 +0.061 A ATOM 2 C LIG 1 5.130 -1.190 -0.447 0.00 0.00 +0.045 A ATOM 3 C LIG 1 3.862 -0.593 -0.521 0.00 0.00 +0.094 A ATOM 4 C LIG 1 3.621 0.715 0.080 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.316 1.003 -0.165 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.260 2.008 0.035 0.00 0.00 +0.076 C ATOM 7 C LIG 1 0.076 1.458 -0.834 0.00 0.00 +0.089 C ATOM 8 N LIG 1 -1.185 1.349 -0.073 0.00 0.00 -0.279 NA ATOM 9 C LIG 1 -1.743 0.000 -0.374 0.00 0.00 +0.135 C ATOM 10 C LIG 1 -2.764 -0.461 0.637 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.971 -0.735 -0.013 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -5.090 -1.183 0.655 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -4.977 -1.354 2.036 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -3.774 -1.077 2.710 0.00 0.00 +0.020 A ATOM 15 CL LIG 1 -6.338 -1.909 2.932 0.00 0.00 -0.083 Cl ATOM 16 N LIG 1 -3.857 -0.479 -1.372 0.00 0.00 -0.283 N ATOM 17 H LIG 1 -4.594 -0.587 -2.054 0.00 0.00 +0.155 HD ATOM 18 C LIG 1 -2.653 -0.622 2.009 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -0.485 -0.893 -0.472 0.00 0.00 +0.082 C ATOM 20 C LIG 1 -2.583 -0.026 -1.700 0.00 0.00 +0.243 C ATOM 21 O LIG 1 -2.208 0.293 -2.818 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 0.472 0.009 -1.254 0.00 0.00 +0.135 C ATOM 23 N LIG 1 1.852 -0.071 -0.842 0.00 0.00 -0.262 N ATOM 24 C LIG 1 4.527 1.511 0.763 0.00 0.00 +0.012 A ATOM 25 N LIG 1 2.725 -1.042 -1.099 0.00 0.00 -0.171 NA ATOM 26 C LIG 1 5.790 0.883 0.821 0.00 0.00 +0.016 A ENDROOT BRANCH 19 27 ATOM 27 C LIG 1 -0.689 -2.300 -1.008 0.00 0.00 -0.000 A ATOM 28 C LIG 1 -0.892 -3.352 -0.108 0.00 0.00 +0.164 A ATOM 29 F LIG 1 -0.889 -3.113 1.213 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -1.103 -4.635 -0.595 0.00 0.00 +0.165 A ATOM 31 CL LIG 1 -1.378 -5.961 0.460 0.00 0.00 -0.059 Cl ATOM 32 N LIG 1 -1.130 -4.953 -1.907 0.00 0.00 -0.241 NA ATOM 33 C LIG 1 -0.921 -3.934 -2.765 0.00 0.00 +0.113 A ATOM 34 C LIG 1 -0.704 -2.617 -2.373 0.00 0.00 +0.026 A ENDBRANCH 19 27 BRANCH 1 36 ATOM 35 O LIG 1 8.379 -0.319 0.981 0.00 0.00 -0.245 OA ATOM 36 C LIG 1 7.477 -0.903 0.410 0.00 0.00 +0.337 C BRANCH 36 37 ATOM 37 O LIG 1 7.673 -2.108 -0.151 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 8.615 -2.307 0.033 0.00 0.00 +0.295 HD ENDBRANCH 36 37 ENDBRANCH 1 36 BRANCH 8 39 ATOM 39 C LIG 1 -2.107 2.466 -0.289 0.00 0.00 +0.089 C BRANCH 39 40 ATOM 40 C LIG 1 -1.564 3.712 0.350 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.490 3.837 1.852 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -2.486 4.658 1.081 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 8 39 TORSDOF 5