REMARK Name = BDB034006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.729 -1.318 -2.028 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.471 -0.771 -2.449 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.686 -0.840 -3.436 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.957 -1.621 -0.860 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.783 -1.448 -3.147 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 2.416 -3.821 -3.028 0.00 0.00 +0.213 C ATOM 7 N LIG 1 2.734 -2.500 -2.802 0.00 0.00 -0.304 N ATOM 8 H LIG 1 3.342 -2.290 -2.013 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.446 -4.168 -3.694 0.00 0.00 -0.276 OA BRANCH 6 11 ATOM 10 C LIG 1 3.034 -6.232 -2.641 0.00 0.00 +0.013 C ATOM 11 C LIG 1 3.398 -4.781 -2.386 0.00 0.00 +0.092 C ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 12 ATOM 12 C LIG 1 2.463 -0.097 -3.398 0.00 0.00 +0.094 C BRANCH 12 13 ATOM 13 C LIG 1 3.183 0.419 -2.186 0.00 0.00 +0.082 A ATOM 14 S LIG 1 2.673 1.867 -1.420 0.00 0.00 -0.072 S ATOM 15 C LIG 1 3.905 1.676 -0.235 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.631 0.519 -0.518 0.00 0.00 +0.078 A ATOM 17 C LIG 1 5.698 0.169 0.331 0.00 0.00 +0.029 A ATOM 18 C LIG 1 6.008 0.977 1.433 0.00 0.00 +0.006 A ATOM 19 C LIG 1 5.275 2.137 1.711 0.00 0.00 -0.044 A ATOM 20 C LIG 1 4.206 2.494 0.868 0.00 0.00 +0.021 A ATOM 21 N LIG 1 4.216 -0.185 -1.637 0.00 0.00 -0.244 NA BRANCH 19 22 ATOM 22 C LIG 1 5.641 2.985 2.919 0.00 0.00 +0.013 C ATOM 23 C LIG 1 4.503 3.022 3.943 0.00 0.00 +0.012 C ATOM 24 C LIG 1 6.052 4.402 2.508 0.00 0.00 +0.012 C ENDBRANCH 19 22 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -1.599 -0.605 -1.522 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.265 -1.984 -1.235 0.00 0.00 +0.011 C ATOM 27 C LIG 1 -3.390 -1.921 -0.196 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -3.830 -3.320 0.246 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -3.715 -4.372 -0.858 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.836 -3.758 -2.244 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -2.743 -2.717 -2.509 0.00 0.00 +0.005 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -2.555 0.492 -2.059 0.00 0.00 +0.126 C BRANCH 32 33 ATOM 33 N LIG 1 -3.385 1.118 -1.048 0.00 0.00 -0.313 N ATOM 34 H LIG 1 -4.334 0.793 -0.923 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -2.902 2.124 -0.234 0.00 0.00 +0.216 C ATOM 36 O LIG 1 -1.763 2.567 -0.330 0.00 0.00 -0.276 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.933 2.644 0.767 0.00 0.00 +0.077 C ATOM 38 C LIG 1 -3.426 3.889 1.513 0.00 0.00 +0.028 C ATOM 39 C LIG 1 -2.693 3.505 2.797 0.00 0.00 +0.085 C ATOM 40 N LIG 1 -3.524 2.739 3.739 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 -3.932 3.542 4.890 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -4.681 2.083 3.121 0.00 0.00 +0.085 C ATOM 43 C LIG 1 -4.338 1.526 1.741 0.00 0.00 +0.028 C ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 2 25 TORSDOF 11