REMARK Name = BDB059792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.347 1.808 -0.001 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.466 0.609 0.199 0.00 0.00 +0.085 C ATOM 3 C LIG 1 0.452 -0.608 0.354 0.00 0.00 +0.028 C ATOM 4 C LIG 1 1.572 -0.673 -0.703 0.00 0.00 +0.078 C ATOM 5 C LIG 1 1.333 0.372 -1.803 0.00 0.00 +0.028 C ATOM 6 C LIG 1 1.143 1.777 -1.227 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.665 -2.069 -1.315 0.00 0.00 +0.221 C ATOM 8 N LIG 1 2.094 -3.150 -0.606 0.00 0.00 -0.270 N ATOM 9 H LIG 1 2.015 -4.001 -1.143 0.00 0.00 +0.156 HD ATOM 10 O LIG 1 1.321 -2.283 -2.483 0.00 0.00 -0.275 OA BRANCH 8 11 ATOM 11 C LIG 1 2.671 -3.247 0.661 0.00 0.00 +0.125 A ATOM 12 N LIG 1 2.946 -2.151 1.381 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 3.515 -2.318 2.599 0.00 0.00 +0.121 A ATOM 14 C LIG 1 3.846 -3.553 3.153 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.562 -4.694 2.383 0.00 0.00 -0.013 A ATOM 16 C LIG 1 3.880 -5.962 2.899 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.468 -6.091 4.159 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.747 -4.957 4.919 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.438 -3.692 4.421 0.00 0.00 +0.010 A ATOM 20 C LIG 1 2.970 -4.527 1.122 0.00 0.00 +0.052 A ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 -0.391 3.057 0.218 0.00 0.00 +0.158 C BRANCH 21 27 ATOM 22 C LIG 1 -4.941 2.978 -1.802 0.00 0.00 +0.064 A ATOM 23 C LIG 1 -3.583 3.187 -1.498 0.00 0.00 +0.101 A ATOM 24 C LIG 1 -2.817 3.950 -2.378 0.00 0.00 +0.067 A ATOM 25 N LIG 1 -1.564 3.967 -1.818 0.00 0.00 -0.341 N ATOM 26 H LIG 1 -0.748 4.417 -2.206 0.00 0.00 +0.167 HD ATOM 27 C LIG 1 -1.599 3.248 -0.650 0.00 0.00 +0.122 A ATOM 28 C LIG 1 -3.322 4.521 -3.550 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -4.674 4.302 -3.831 0.00 0.00 +0.003 A ATOM 30 N LIG 1 -2.816 2.793 -0.425 0.00 0.00 -0.230 NA ATOM 31 C LIG 1 -5.476 3.544 -2.975 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -7.029 2.683 -0.633 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -7.545 2.196 0.089 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -7.219 3.667 -0.762 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -5.792 2.162 -0.915 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -5.447 1.082 -0.462 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 5