REMARK Name = BDB030485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.015 1.458 -0.471 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -1.145 1.618 0.286 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.087 1.411 1.613 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.333 1.940 -0.369 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -2.327 2.103 -1.714 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -1.159 1.954 -2.355 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.016 1.638 -1.803 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.227 1.175 0.195 0.00 0.00 -0.326 N ATOM 9 H LIG 1 1.058 0.478 0.925 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.350 0.832 -0.670 0.00 0.00 +0.109 C BRANCH 10 15 ATOM 11 N LIG 1 5.801 -1.417 0.717 0.00 0.00 -0.291 NA ATOM 12 C LIG 1 4.602 -1.403 1.579 0.00 0.00 +0.122 C ATOM 13 C LIG 1 3.351 -0.949 0.819 0.00 0.00 +0.185 C ATOM 14 F LIG 1 2.307 -0.884 1.694 0.00 0.00 -0.244 F ATOM 15 C LIG 1 3.560 0.428 0.185 0.00 0.00 +0.042 C ATOM 16 C LIG 1 4.843 0.411 -0.656 0.00 0.00 +0.023 C ATOM 17 C LIG 1 6.044 -0.069 0.166 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 18 C LIG 1 6.974 -1.868 1.516 0.00 0.00 +0.180 C BRANCH 18 22 ATOM 19 N LIG 1 7.804 -2.904 -0.535 0.00 0.00 -0.328 N ATOM 20 H LIG 1 6.847 -2.802 -0.854 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.533 -3.052 -1.219 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 8.150 -2.235 0.607 0.00 0.00 +0.225 C ATOM 23 O LIG 1 9.322 -2.003 0.882 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 11 18 ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -3.554 2.140 0.318 0.00 0.00 -0.305 N BRANCH 24 25 ATOM 25 C LIG 1 -3.660 2.020 1.780 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -4.604 2.884 2.578 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.128 3.101 2.686 0.00 0.00 +0.024 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 -4.778 1.957 -0.471 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 -5.206 0.502 -0.536 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.056 -0.037 0.441 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -6.439 -1.379 0.389 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -5.973 -2.215 -0.636 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -5.129 -1.675 -1.617 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -4.747 -0.332 -1.564 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -6.401 -3.660 -0.706 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -5.445 -4.475 -1.235 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.705 -4.189 0.512 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -7.510 -3.835 -1.476 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 TORSDOF 10