REMARK Name = BDB050720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.434 -0.707 -2.522 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -0.169 -0.501 -1.274 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.554 -0.039 -0.153 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.946 0.094 -0.313 0.00 0.00 +0.109 A ATOM 5 C LIG 1 2.808 0.367 0.856 0.00 0.00 +0.349 A ATOM 6 O LIG 1 2.223 0.256 2.101 0.00 0.00 -0.422 OA ATOM 7 C LIG 1 0.823 0.286 2.270 0.00 0.00 +0.143 A ATOM 8 C LIG 1 0.408 0.429 3.597 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.939 0.575 3.852 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -1.843 0.621 2.801 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -1.419 0.496 1.457 0.00 0.00 -0.036 A ATOM 12 C LIG 1 -2.497 0.680 0.420 0.00 0.00 +0.044 C ATOM 13 O LIG 1 4.005 0.604 0.719 0.00 0.00 -0.244 OA ATOM 14 C LIG 1 2.555 -0.104 -1.565 0.00 0.00 +0.135 A ATOM 15 C LIG 1 -0.053 0.240 1.170 0.00 0.00 +0.029 A ATOM 16 C LIG 1 1.798 -0.487 -2.664 0.00 0.00 +0.091 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -1.604 -1.324 -3.595 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -0.197 -1.131 -3.659 0.00 0.00 -0.495 OA ENDBRANCH 1 18 BRANCH 9 19 ATOM 19 O LIG 1 -1.421 0.713 5.117 0.00 0.00 -0.507 OA ATOM 20 H LIG 1 -0.680 0.665 5.744 0.00 0.00 +0.292 HD ENDBRANCH 9 19 BRANCH 14 21 ATOM 21 O LIG 1 3.899 0.038 -1.791 0.00 0.00 -0.506 OA ATOM 22 H LIG 1 4.338 0.315 -0.955 0.00 0.00 +0.292 HD ENDBRANCH 14 21 TORSDOF 3