REMARK Name = BDB034394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.396 1.180 -1.718 0.00 0.00 -0.343 N ATOM 2 H LIG 1 1.083 1.431 -2.425 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.926 0.219 -0.835 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.283 0.322 -0.404 0.00 0.00 +0.021 A ATOM 5 C LIG 1 2.771 -0.655 0.495 0.00 0.00 +0.073 A ATOM 6 C LIG 1 4.094 -0.593 0.913 0.00 0.00 +0.032 A ATOM 7 C LIG 1 4.970 0.417 0.492 0.00 0.00 -0.045 A ATOM 8 C LIG 1 4.494 1.392 -0.380 0.00 0.00 +0.004 A ATOM 9 N LIG 1 2.011 -1.648 0.979 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 0.721 -1.688 0.603 0.00 0.00 +0.113 A ATOM 11 C LIG 1 3.169 1.347 -0.817 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.141 -0.789 -0.273 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 6.403 0.432 0.961 0.00 0.00 +0.040 C BRANCH 13 14 ATOM 14 C LIG 1 7.304 -0.409 0.052 0.00 0.00 +0.040 C BRANCH 14 15 ATOM 15 C LIG 1 8.738 -0.390 0.519 0.00 0.00 -0.047 A ATOM 16 C LIG 1 9.193 -1.330 1.452 0.00 0.00 +0.003 A ATOM 17 C LIG 1 10.515 -1.300 1.899 0.00 0.00 +0.000 A ATOM 18 C LIG 1 11.392 -0.328 1.421 0.00 0.00 +0.000 A ATOM 19 C LIG 1 10.948 0.615 0.496 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.626 0.587 0.048 0.00 0.00 +0.003 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -0.947 1.068 -2.281 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 -1.977 1.714 -1.353 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 -3.384 1.580 -1.937 0.00 0.00 +0.082 C BRANCH 23 24 ATOM 24 N LIG 1 -4.423 2.241 -1.148 0.00 0.00 -0.316 NA ATOM 25 H LIG 1 -4.208 3.234 -1.069 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.639 1.693 0.191 0.00 0.00 +0.087 C BRANCH 26 28 ATOM 27 C LIG 1 -6.303 -0.242 -0.296 0.00 0.00 +0.122 C ATOM 28 C LIG 1 -4.956 0.172 0.357 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -4.869 -0.115 1.872 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -5.210 -1.518 2.355 0.00 0.00 +0.166 C ATOM 31 F LIG 1 -4.811 -1.578 3.665 0.00 0.00 -0.245 F ATOM 32 C LIG 1 -6.704 -1.798 2.347 0.00 0.00 +0.037 C ATOM 33 C LIG 1 -7.268 -2.256 1.012 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.562 -1.754 -0.238 0.00 0.00 +0.032 C BRANCH 27 36 ATOM 35 C LIG 1 -7.419 0.675 -2.188 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -6.238 0.055 -1.699 0.00 0.00 -0.379 OA ENDBRANCH 27 36 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11