REMARK Name = BDB031107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.613 -1.056 1.051 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -0.476 -2.263 1.732 0.00 0.00 +0.154 A ATOM 3 F LIG 1 0.689 -2.631 2.282 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -1.573 -3.096 1.856 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -2.775 -2.684 1.300 0.00 0.00 +0.166 A ATOM 6 F LIG 1 -3.850 -3.481 1.403 0.00 0.00 -0.202 F ATOM 7 C LIG 1 -2.864 -1.456 0.627 0.00 0.00 +0.156 A ATOM 8 N LIG 1 -1.792 -0.643 0.516 0.00 0.00 -0.225 NA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 4.394 -0.294 -0.349 0.00 0.00 +0.126 A ATOM 10 C LIG 1 3.811 0.849 0.073 0.00 0.00 +0.092 A ATOM 11 C LIG 1 2.442 0.851 0.473 0.00 0.00 +0.142 A ATOM 12 N LIG 1 1.751 -0.360 0.439 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.467 -0.097 0.890 0.00 0.00 +0.094 A ATOM 14 C LIG 1 0.452 1.271 1.100 0.00 0.00 +0.141 A ATOM 15 C LIG 1 2.342 -1.543 -0.013 0.00 0.00 +0.097 A ATOM 16 N LIG 1 1.674 1.841 0.869 0.00 0.00 -0.235 NA ATOM 17 C LIG 1 3.628 -1.533 -0.401 0.00 0.00 +0.064 A BRANCH 9 18 ATOM 18 O LIG 1 5.688 -0.471 -0.769 0.00 0.00 -0.489 OA BRANCH 18 20 ATOM 19 C LIG 1 6.460 1.432 -2.057 0.00 0.00 +0.051 C ATOM 20 C LIG 1 6.600 0.633 -0.765 0.00 0.00 +0.167 C ATOM 21 C LIG 1 8.004 0.042 -0.665 0.00 0.00 +0.051 C ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 N LIG 1 -4.114 -1.044 0.130 0.00 0.00 -0.320 N ATOM 23 H LIG 1 -4.552 -1.840 -0.334 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.110 0.170 -0.722 0.00 0.00 +0.119 C ATOM 25 C LIG 1 -4.067 1.462 0.115 0.00 0.00 +0.189 C ATOM 26 F LIG 1 -3.909 2.524 -0.734 0.00 0.00 -0.243 F ATOM 27 C LIG 1 -5.354 1.682 0.906 0.00 0.00 +0.054 C ATOM 28 C LIG 1 -6.585 1.569 0.010 0.00 0.00 +0.084 C ATOM 29 N LIG 1 -6.617 0.299 -0.725 0.00 0.00 -0.314 NA ATOM 30 H LIG 1 -6.594 -0.462 -0.042 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 -5.410 0.190 -1.565 0.00 0.00 +0.106 C ENDBRANCH 22 24 ENDBRANCH 7 22 TORSDOF 5