REMARK Name = BDB003472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.717 -0.596 -0.537 0.00 0.00 +0.071 A ATOM 2 C LIG 1 -0.646 -0.429 -0.162 0.00 0.00 +0.082 A ATOM 3 C LIG 1 -1.310 -0.309 1.116 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -2.806 -0.243 1.071 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.511 -0.200 -0.150 0.00 0.00 +0.036 A ATOM 6 C LIG 1 -2.789 -0.230 -1.459 0.00 0.00 +0.229 C ATOM 7 O LIG 1 -3.408 -0.146 -2.513 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 -4.911 -0.126 -0.145 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.604 -0.095 1.066 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.908 -0.136 2.274 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.514 -0.208 2.280 0.00 0.00 +0.012 A ATOM 12 O LIG 1 -0.713 -0.216 2.179 0.00 0.00 -0.286 OA ATOM 13 C LIG 1 -1.365 -0.365 -1.333 0.00 0.00 +0.186 A ATOM 14 O LIG 1 -0.544 -0.448 -2.411 0.00 0.00 -0.458 OA ATOM 15 C LIG 1 0.716 -0.596 -1.922 0.00 0.00 +0.208 A ENDROOT BRANCH 1 17 ATOM 16 O LIG 1 1.855 -1.621 1.228 0.00 0.00 -0.287 OA ATOM 17 C LIG 1 1.877 -0.807 0.311 0.00 0.00 +0.197 C BRANCH 17 18 ATOM 18 C LIG 1 3.136 -0.062 0.025 0.00 0.00 +0.022 A ATOM 19 C LIG 1 4.354 -0.635 0.418 0.00 0.00 +0.012 A ATOM 20 C LIG 1 5.556 0.030 0.173 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.549 1.274 -0.456 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.341 1.859 -0.834 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.135 1.198 -0.591 0.00 0.00 +0.012 A ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 2