REMARK Name = BDB008011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.833 0.908 -0.730 0.00 0.00 +0.194 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.491 0.593 -0.104 0.00 0.00 +0.008 A ATOM 3 C LIG 1 -0.060 0.974 1.205 0.00 0.00 +0.006 A ATOM 4 C LIG 1 1.233 0.468 1.409 0.00 0.00 +0.060 A ATOM 5 C LIG 1 1.903 0.688 2.631 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.267 1.423 3.635 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.007 1.935 3.443 0.00 0.00 +0.001 A ATOM 8 N LIG 1 1.614 -0.207 0.242 0.00 0.00 -0.253 N ATOM 9 C LIG 1 2.822 -0.873 -0.072 0.00 0.00 +0.420 C ATOM 10 O LIG 1 2.955 -1.439 -1.146 0.00 0.00 -0.223 OA ATOM 11 C LIG 1 -0.676 1.717 2.237 0.00 0.00 +0.010 A ATOM 12 C LIG 1 0.547 -0.138 -0.645 0.00 0.00 +0.104 A BRANCH 9 13 ATOM 13 O LIG 1 3.718 -0.777 0.936 0.00 0.00 -0.442 OA BRANCH 13 14 ATOM 14 C LIG 1 5.030 -1.381 0.810 0.00 0.00 +0.107 C ATOM 15 C LIG 1 4.929 -2.904 0.671 0.00 0.00 +0.055 C ATOM 16 C LIG 1 5.824 -0.751 -0.340 0.00 0.00 +0.055 C ATOM 17 C LIG 1 5.739 -1.055 2.134 0.00 0.00 +0.055 C ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 1 2 BRANCH 1 20 ATOM 18 C LIG 1 -4.021 2.793 -0.377 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -2.932 3.074 -1.383 0.00 0.00 +0.213 C ATOM 20 N LIG 1 -1.812 2.237 -1.389 0.00 0.00 -0.286 N ATOM 21 O LIG 1 -3.058 4.032 -2.146 0.00 0.00 -0.276 OA BRANCH 20 22 ATOM 22 C LIG 1 -0.852 2.460 -2.483 0.00 0.00 +0.112 C BRANCH 22 23 ATOM 23 C LIG 1 -0.003 3.742 -2.334 0.00 0.00 +0.000 C ATOM 24 C LIG 1 0.868 3.928 -3.579 0.00 0.00 +0.009 C ATOM 25 C LIG 1 0.877 3.718 -1.086 0.00 0.00 +0.009 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 26 ATOM 26 C LIG 1 -2.334 -0.223 -1.677 0.00 0.00 +0.238 C ATOM 27 N LIG 1 -2.796 -1.394 -1.134 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -3.035 -2.089 -1.833 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -2.348 -0.119 -2.906 0.00 0.00 -0.273 OA BRANCH 27 30 ATOM 30 C LIG 1 -2.683 -1.837 0.239 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 -3.495 -3.082 0.466 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -2.886 -4.345 0.444 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.647 -5.500 0.632 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.022 -5.405 0.837 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.639 -4.156 0.850 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.881 -3.000 0.662 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 26 TORSDOF 9