REMARK Name = BDB033084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.466 -1.390 1.481 0.00 0.00 +0.099 C ATOM 2 C LIG 1 0.897 -0.999 0.913 0.00 0.00 +0.130 C ATOM 3 N LIG 1 1.581 -2.264 0.800 0.00 0.00 -0.295 N ATOM 4 C LIG 1 0.694 -3.325 0.737 0.00 0.00 +0.218 C ATOM 5 O LIG 1 0.973 -4.495 0.527 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -0.704 -2.785 0.910 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.583 0.790 1.744 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.525 -0.456 1.160 0.00 0.00 -0.306 N ATOM 9 H LIG 1 -2.094 -0.594 0.327 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -0.819 1.123 2.645 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -3.854 5.194 2.282 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -3.725 3.904 1.527 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -2.779 2.950 1.928 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.621 1.739 1.230 0.00 0.00 +0.078 A ATOM 15 C LIG 1 -3.426 1.503 0.104 0.00 0.00 +0.129 A ATOM 16 C LIG 1 -4.365 2.454 -0.308 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.510 3.649 0.399 0.00 0.00 +0.007 A BRANCH 15 18 ATOM 18 O LIG 1 -3.305 0.345 -0.622 0.00 0.00 -0.506 OA ATOM 19 H LIG 1 -3.932 0.379 -1.367 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.992 -2.368 0.479 0.00 0.00 +0.143 C BRANCH 20 21 ATOM 21 C LIG 1 3.267 -2.129 -0.987 0.00 0.00 -0.016 A ATOM 22 C LIG 1 3.560 -0.865 -1.531 0.00 0.00 +0.063 A ATOM 23 C LIG 1 3.714 -0.702 -2.917 0.00 0.00 +0.015 A ATOM 24 C LIG 1 3.604 -1.797 -3.772 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.325 -3.056 -3.249 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.150 -3.219 -1.873 0.00 0.00 +0.006 A BRANCH 22 27 ATOM 27 C LIG 1 3.678 0.362 -0.720 0.00 0.00 +0.337 C ATOM 28 O LIG 1 3.122 1.419 -0.948 0.00 0.00 -0.245 OA BRANCH 27 29 ATOM 29 O LIG 1 4.562 0.221 0.280 0.00 0.00 -0.477 OA ATOM 30 H LIG 1 4.592 1.105 0.703 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7