REMARK Name = BDB048226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.280 -0.909 0.178 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.580 -0.476 1.200 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -1.646 0.408 0.916 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.802 0.844 -0.402 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -2.897 1.673 -0.436 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -3.248 2.123 -1.270 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -3.461 1.792 0.808 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -4.583 2.519 1.236 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -5.512 3.412 0.459 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -6.696 3.539 1.426 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.135 3.360 2.848 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -4.953 2.486 2.587 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -4.212 1.737 3.461 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -4.355 1.514 4.897 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -5.209 2.000 5.607 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -3.348 0.674 5.252 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -3.186 0.362 6.199 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -2.553 0.332 4.206 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.576 -0.394 4.248 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.105 1.009 3.033 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -0.946 0.457 -1.436 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.689 1.012 1.692 0.00 0.00 +0.021 A ATOM 23 C LIG 1 0.094 -0.423 -1.122 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 3.273 -2.894 -0.005 0.00 0.00 +0.096 A ATOM 25 S LIG 1 2.715 -3.825 1.325 0.00 0.00 -0.078 S ATOM 26 C LIG 1 1.321 -2.828 1.418 0.00 0.00 +0.075 A ATOM 27 C LIG 1 1.354 -1.863 0.428 0.00 0.00 +0.078 A ATOM 28 N LIG 1 2.485 -1.899 -0.377 0.00 0.00 -0.242 NA BRANCH 24 29 ATOM 29 C LIG 1 4.571 -3.240 -0.675 0.00 0.00 +0.167 C BRANCH 29 31 ATOM 30 C LIG 1 6.002 -2.271 -2.421 0.00 0.00 +0.213 C ATOM 31 N LIG 1 5.003 -2.122 -1.491 0.00 0.00 -0.309 N ATOM 32 H LIG 1 4.382 -1.321 -1.523 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 6.650 -3.303 -2.539 0.00 0.00 -0.276 OA BRANCH 30 34 ATOM 34 C LIG 1 6.255 -1.020 -3.235 0.00 0.00 +0.095 C BRANCH 34 36 ATOM 35 C LIG 1 5.880 -1.976 -5.551 0.00 0.00 +0.004 C ATOM 36 C LIG 1 6.871 -1.314 -4.601 0.00 0.00 +0.006 C ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 5