REMARK Name = BDB046538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.798 -0.354 -1.101 0.00 0.00 +0.262 C ATOM 2 C LIG 1 0.464 -0.966 -0.470 0.00 0.00 +0.261 C ATOM 3 O LIG 1 0.414 -1.734 0.493 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 1.662 -0.486 -0.997 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.644 0.360 -2.142 0.00 0.00 +0.078 A ATOM 6 C LIG 1 0.445 0.519 -2.854 0.00 0.00 +0.143 A ATOM 7 C LIG 1 0.396 1.283 -4.022 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.540 1.930 -4.480 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.733 1.802 -3.775 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.787 1.018 -2.616 0.00 0.00 +0.027 A ATOM 11 O LIG 1 -0.723 -0.100 -2.499 0.00 0.00 -0.478 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 -2.014 -1.260 -0.856 0.00 0.00 +0.095 C BRANCH 12 13 ATOM 13 C LIG 1 -3.326 -0.563 -1.209 0.00 0.00 +0.233 C BRANCH 13 14 ATOM 14 O LIG 1 -3.526 0.506 -0.270 0.00 0.00 -0.492 OA BRANCH 14 16 ATOM 15 C LIG 1 -5.655 1.014 0.669 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -4.764 1.079 -0.413 0.00 0.00 +0.124 A ATOM 17 C LIG 1 -5.102 1.774 -1.577 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -6.357 2.372 -1.688 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.264 2.289 -0.632 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.916 1.616 0.542 0.00 0.00 +0.008 A BRANCH 15 21 ATOM 21 C LIG 1 -5.279 0.287 1.937 0.00 0.00 +0.159 C BRANCH 21 23 ATOM 22 O LIG 1 -6.146 -1.877 1.259 0.00 0.00 -0.251 OA ATOM 23 C LIG 1 -5.246 -1.217 1.761 0.00 0.00 +0.309 C BRANCH 23 24 ATOM 24 O LIG 1 -4.121 -1.801 2.245 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.448 -1.177 2.579 0.00 0.00 +0.295 HD ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 4 26 ATOM 26 C LIG 1 2.912 -0.883 -0.354 0.00 0.00 +0.114 C BRANCH 26 27 ATOM 27 C LIG 1 3.292 0.070 0.783 0.00 0.00 +0.019 C BRANCH 27 28 ATOM 28 C LIG 1 4.654 -0.241 1.411 0.00 0.00 +0.002 C BRANCH 28 29 ATOM 29 C LIG 1 4.688 -1.580 2.153 0.00 0.00 +0.002 C BRANCH 29 30 ATOM 30 C LIG 1 6.039 -1.875 2.807 0.00 0.00 +0.028 C BRANCH 30 31 ATOM 31 C LIG 1 6.378 -0.941 3.962 0.00 0.00 +0.156 C BRANCH 31 32 ATOM 32 O LIG 1 7.586 -1.366 4.581 0.00 0.00 -0.395 OA ATOM 33 H LIG 1 8.288 -1.338 3.909 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 14