REMARK Name = BDB009401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.460 0.369 2.910 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.861 1.677 3.152 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.036 2.629 3.458 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.205 2.026 3.063 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.158 1.054 2.746 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.771 -0.276 2.514 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.411 -0.614 2.606 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 1.236 -0.761 3.987 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.950 -0.026 3.045 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.866 0.405 2.093 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.254 -0.055 2.195 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.854 -0.440 0.830 0.00 0.00 +0.124 C ATOM 13 N LIG 1 3.727 0.648 -0.164 0.00 0.00 -0.327 N ATOM 14 C LIG 1 2.764 1.718 0.145 0.00 0.00 +0.124 C ATOM 15 C LIG 1 1.530 1.166 0.883 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 4.698 0.807 -1.146 0.00 0.00 +0.030 A ATOM 17 C LIG 1 5.408 -0.298 -1.649 0.00 0.00 +0.035 A ATOM 18 C LIG 1 6.386 -0.176 -2.656 0.00 0.00 +0.057 A ATOM 19 C LIG 1 6.668 1.090 -3.176 0.00 0.00 +0.012 A ATOM 20 C LIG 1 5.978 2.201 -2.707 0.00 0.00 +0.002 A ATOM 21 C LIG 1 5.006 2.055 -1.709 0.00 0.00 +0.023 A BRANCH 18 22 ATOM 22 C LIG 1 7.125 -1.384 -3.171 0.00 0.00 +0.417 C ATOM 23 F LIG 1 6.694 -2.560 -2.635 0.00 0.00 -0.166 F ATOM 24 F LIG 1 8.461 -1.326 -2.909 0.00 0.00 -0.166 F ATOM 25 F LIG 1 7.016 -1.529 -4.522 0.00 0.00 -0.166 F ENDBRANCH 18 22 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -3.791 -1.337 2.165 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -3.716 -1.747 0.696 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -4.583 -1.063 -0.317 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -5.616 -0.053 0.098 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -6.597 0.316 -1.021 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.872 0.504 -2.347 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -5.135 -0.774 -2.749 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -4.391 -1.404 -1.603 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -3.408 -2.458 -1.957 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -3.233 -2.813 -3.118 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -2.723 -3.014 -0.910 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -2.054 -3.744 -1.132 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -2.850 -2.671 0.399 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5