REMARK Name = BDB039195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.627 -0.753 1.205 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.347 -1.273 1.133 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.293 -0.386 0.655 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.892 -0.908 0.854 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.641 -2.188 1.402 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.328 -2.642 1.595 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.225 -1.865 1.229 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.487 -0.612 0.665 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.329 0.394 0.186 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.476 1.437 -0.228 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.748 1.121 -0.076 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.799 -3.050 1.839 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.777 -0.131 0.480 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.078 -2.704 1.081 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.897 0.431 1.037 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.004 2.760 -0.760 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.193 3.868 0.294 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.354 5.266 -0.311 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.371 5.400 -1.643 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.156 4.407 -2.681 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.710 3.118 -2.069 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.896 -1.197 1.579 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.563 -1.701 1.488 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.782 0.330 0.176 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -2.345 -0.572 -0.931 0.00 0.00 +0.151 C BRANCH 25 26 ATOM 26 C LIG 1 -3.834 -0.827 -0.698 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -4.271 -2.019 -0.081 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -5.638 -2.232 0.145 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.588 -1.274 -0.235 0.00 0.00 -0.012 A ATOM 30 C LIG 1 -8.047 -1.486 0.037 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -6.145 -0.087 -0.813 0.00 0.00 +0.127 A ATOM 32 F LIG 1 -7.028 0.863 -1.151 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -4.793 0.142 -1.044 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 34 O LIG 1 -3.284 -2.894 0.291 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -3.683 -4.177 0.760 0.00 0.00 +0.277 C ENDBRANCH 27 34 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -2.061 0.024 -2.296 0.00 0.00 +0.314 C ATOM 37 O LIG 1 -2.228 1.185 -2.634 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -1.597 -0.880 -3.182 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -1.447 -0.371 -4.006 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8