REMARK Name = BDB063182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.372 1.610 -0.061 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 6 ATOM 2 N LIG 1 4.063 -0.072 0.348 0.00 0.00 -0.327 N ATOM 3 C LIG 1 3.562 -0.069 -1.033 0.00 0.00 +0.112 C ATOM 4 C LIG 1 2.356 0.863 -1.183 0.00 0.00 +0.044 C ATOM 5 C LIG 1 1.852 0.874 -2.628 0.00 0.00 +0.013 C ATOM 6 C LIG 1 1.233 0.462 -0.208 0.00 0.00 +0.179 C ATOM 7 C LIG 1 1.768 0.054 1.172 0.00 0.00 +0.064 C ATOM 8 C LIG 1 3.208 0.506 1.389 0.00 0.00 +0.109 C BRANCH 2 11 ATOM 9 C LIG 1 7.590 -1.218 -0.067 0.00 0.00 +0.122 A ATOM 10 C LIG 1 6.210 -1.055 -0.249 0.00 0.00 +0.071 A ATOM 11 C LIG 1 5.443 -0.185 0.557 0.00 0.00 +0.069 A ATOM 12 C LIG 1 6.143 0.505 1.568 0.00 0.00 +0.145 A ATOM 13 F LIG 1 5.511 1.373 2.376 0.00 0.00 -0.204 F ATOM 14 C LIG 1 7.516 0.353 1.761 0.00 0.00 +0.044 A ATOM 15 C LIG 1 8.238 -0.508 0.943 0.00 0.00 +0.048 A BRANCH 9 16 ATOM 16 O LIG 1 8.408 -2.040 -0.794 0.00 0.00 -0.492 OA BRANCH 16 18 ATOM 17 C LIG 1 8.909 -3.582 -2.538 0.00 0.00 +0.048 C ATOM 18 C LIG 1 7.816 -2.768 -1.868 0.00 0.00 +0.225 C ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 -0.949 1.306 0.107 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -1.581 1.801 1.238 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.942 1.550 1.444 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.715 0.831 0.515 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -3.050 0.359 -0.626 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -1.686 0.604 -0.839 0.00 0.00 +0.047 A BRANCH 22 25 ATOM 25 N LIG 1 -5.062 0.578 0.782 0.00 0.00 -0.324 N ATOM 26 C LIG 1 -5.917 -0.241 -0.112 0.00 0.00 +0.087 C ATOM 27 C LIG 1 -7.345 0.175 0.261 0.00 0.00 +0.056 C ATOM 28 C LIG 1 -7.202 1.669 0.518 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -5.855 1.747 1.260 0.00 0.00 +0.137 C BRANCH 28 30 ATOM 30 O LIG 1 -8.249 2.192 1.327 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -9.488 2.296 0.637 0.00 0.00 +0.194 C ENDBRANCH 28 30 BRANCH 26 32 ATOM 32 C LIG 1 -5.672 -1.738 0.053 0.00 0.00 +0.143 C BRANCH 32 33 ATOM 33 C LIG 1 -5.897 -2.266 1.447 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -6.498 -3.306 1.676 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.325 -1.531 2.423 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.921 -0.704 2.058 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 10