REMARK Name = BDB027474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.598 0.724 -1.385 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.777 0.622 -1.102 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.404 1.679 -0.408 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -0.674 2.795 0.003 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.645 2.904 -0.264 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 1.231 1.892 -0.946 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.270 3.928 0.742 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.604 4.331 0.548 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.135 5.407 1.260 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.409 5.764 1.048 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -2.358 6.105 2.173 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -2.874 7.137 2.853 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -1.037 5.739 2.384 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -0.500 4.662 1.671 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.097 -1.395 -0.633 0.00 0.00 +0.041 C ATOM 16 C LIG 1 1.643 -1.469 -1.209 0.00 0.00 +0.127 C ATOM 17 N LIG 1 1.280 -0.298 -2.044 0.00 0.00 -0.327 N ATOM 18 C LIG 1 2.182 0.041 -3.152 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.522 -0.686 -3.045 0.00 0.00 +0.021 C ATOM 20 C LIG 1 4.039 -0.635 -1.611 0.00 0.00 +0.026 C BRANCH 15 21 ATOM 21 N LIG 1 3.141 -0.673 0.661 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 4.094 -0.388 0.882 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.586 0.180 0.596 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.662 -2.837 -0.422 0.00 0.00 +0.092 C BRANCH 24 26 ATOM 25 C LIG 1 2.609 -3.354 2.119 0.00 0.00 +0.084 C ATOM 26 S LIG 1 2.622 -4.069 0.457 0.00 0.00 -0.162 S ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -1.599 -0.525 -1.660 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -2.627 -1.007 -0.752 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -2.460 -1.917 0.254 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -3.724 -2.087 0.794 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -3.834 -2.983 1.870 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -2.717 -3.604 2.311 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -1.551 -3.353 1.676 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -4.650 -1.302 0.133 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -1.326 -2.521 0.640 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -3.961 -0.695 -0.810 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -5.034 -3.254 2.516 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -5.736 -2.535 2.381 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -4.890 -3.606 3.453 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8