REMARK Name = BDB035816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.887 0.419 0.206 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.347 0.986 0.543 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.625 1.933 1.256 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.380 0.214 -0.160 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.752 0.385 -0.139 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.537 -0.487 -0.908 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.910 -1.511 -1.659 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.510 -1.672 -1.667 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.760 -0.784 -0.901 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.720 -0.704 -0.708 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.625 0.583 0.653 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.334 0.193 0.226 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.166 0.838 0.667 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.316 1.897 1.566 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.580 2.298 2.006 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.727 1.649 1.553 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.824 -0.174 0.085 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -5.907 2.577 -1.560 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.057 1.241 -2.068 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.022 0.046 -1.391 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -6.206 -0.927 -2.265 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.356 -0.373 -3.510 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.263 0.927 -3.378 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -7.129 0.071 0.834 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.233 -0.501 2.259 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -8.524 -1.087 1.957 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -8.271 -0.920 0.538 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.844 -2.758 -2.469 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.085 -3.578 -1.693 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.003 -2.254 -3.413 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.716 -3.564 -3.131 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.042 -0.351 -0.901 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.603 -0.915 0.324 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 5.330 -1.894 0.401 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.061 -0.782 0.384 0.00 0.00 +0.061 C ATOM 36 C LIG 1 7.719 -0.802 1.738 0.00 0.00 +0.011 C ATOM 37 C LIG 1 9.165 -1.172 1.906 0.00 0.00 +0.005 C ATOM 38 C LIG 1 9.914 0.143 1.662 0.00 0.00 +0.001 C ATOM 39 C LIG 1 9.060 0.898 0.638 0.00 0.00 +0.005 C ATOM 40 C LIG 1 7.655 0.476 0.957 0.00 0.00 +0.011 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8