REMARK Name = BDB032191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.120 -2.555 -1.841 0.00 0.00 +0.126 A ATOM 2 C LIG 1 3.082 -2.357 -0.475 0.00 0.00 +0.024 A ATOM 3 C LIG 1 4.187 -1.992 0.463 0.00 0.00 +0.148 C ATOM 4 N LIG 1 3.524 -2.003 1.762 0.00 0.00 -0.281 N ATOM 5 C LIG 1 2.151 -2.171 1.637 0.00 0.00 +0.248 C ATOM 6 O LIG 1 1.305 -2.099 2.510 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.879 -2.441 0.220 0.00 0.00 +0.045 A ATOM 8 C LIG 1 0.671 -2.701 -0.395 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.682 -2.895 -1.782 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.909 -2.825 -2.493 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 4.108 -1.427 2.966 0.00 0.00 +0.163 C ATOM 12 C LIG 1 4.148 0.110 2.915 0.00 0.00 +0.240 C ATOM 13 O LIG 1 3.602 0.799 2.054 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 4.867 0.703 3.927 0.00 0.00 -0.255 N ATOM 15 H LIG 1 4.897 1.716 3.878 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.927 0.138 4.586 0.00 0.00 +0.219 C ATOM 17 O LIG 1 6.752 0.834 5.172 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 6.002 -1.368 4.574 0.00 0.00 +0.098 C ATOM 19 C LIG 1 5.513 -1.946 3.250 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 4.399 -2.564 -3.843 0.00 0.00 +0.277 C ATOM 21 O LIG 1 4.348 -2.442 -2.426 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.614 -3.098 -2.525 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 -1.330 -1.862 -2.567 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.014 -1.029 -3.586 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -1.621 0.202 -3.542 0.00 0.00 -0.250 N ATOM 26 H LIG 1 -1.456 0.719 -4.399 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -0.250 -1.308 -4.506 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 -2.607 0.692 -2.672 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -3.418 1.736 -3.102 0.00 0.00 +0.136 A ATOM 30 N LIG 1 -4.369 2.344 -2.351 0.00 0.00 -0.238 NA ATOM 31 C LIG 1 -4.515 1.953 -1.069 0.00 0.00 +0.122 A ATOM 32 C LIG 1 -3.744 0.910 -0.560 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -2.791 0.272 -1.363 0.00 0.00 +0.028 A BRANCH 31 34 ATOM 34 N LIG 1 -5.447 2.587 -0.274 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -5.092 3.186 1.026 0.00 0.00 +0.072 C ATOM 36 C LIG 1 -3.676 3.760 1.111 0.00 0.00 +0.028 C ATOM 37 C LIG 1 -6.117 4.326 1.195 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -7.247 3.968 0.241 0.00 0.00 +0.021 C ATOM 39 C LIG 1 -6.494 3.364 -0.934 0.00 0.00 +0.107 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7