REMARK Name = BDB057583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.401 -2.295 0.242 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.708 -0.822 0.165 0.00 0.00 -0.036 A ATOM 3 C LIG 1 0.732 0.191 -0.011 0.00 0.00 +0.029 A ATOM 4 C LIG 1 1.216 1.488 -0.244 0.00 0.00 +0.143 A ATOM 5 O LIG 1 0.355 2.529 -0.643 0.00 0.00 -0.422 OA ATOM 6 C LIG 1 -0.888 2.231 -1.185 0.00 0.00 +0.349 A ATOM 7 C LIG 1 -1.541 1.026 -0.601 0.00 0.00 +0.109 A ATOM 8 C LIG 1 -2.944 0.909 -0.609 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -3.569 -0.169 0.009 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -2.794 -1.109 0.665 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -1.404 -1.004 0.685 0.00 0.00 +0.055 A ATOM 12 O LIG 1 -1.399 2.963 -2.021 0.00 0.00 -0.244 OA ATOM 13 C LIG 1 2.566 1.834 -0.170 0.00 0.00 +0.092 A ATOM 14 C LIG 1 3.489 0.846 0.102 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -0.739 0.038 0.010 0.00 0.00 +0.007 A ATOM 16 C LIG 1 3.077 -0.472 0.255 0.00 0.00 +0.049 A ENDROOT BRANCH 10 17 ATOM 17 O LIG 1 -3.441 -2.125 1.302 0.00 0.00 -0.507 OA ATOM 18 H LIG 1 -2.791 -2.703 1.734 0.00 0.00 +0.292 HD ENDBRANCH 10 17 BRANCH 8 19 ATOM 19 O LIG 1 -3.727 1.869 -1.186 0.00 0.00 -0.506 OA ATOM 20 H LIG 1 -4.662 1.609 -1.152 0.00 0.00 +0.292 HD ENDBRANCH 8 19 BRANCH 14 21 ATOM 21 O LIG 1 4.802 1.198 0.177 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 5.334 0.407 0.358 0.00 0.00 +0.292 HD ENDBRANCH 14 21 TORSDOF 3