REMARK Name = BDB053189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.648 -1.563 2.817 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -1.418 -1.044 1.734 0.00 0.00 +0.191 C ATOM 3 C LIG 1 -2.466 -0.649 0.759 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.113 0.095 -0.377 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -3.115 0.450 -1.300 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -4.447 0.090 -1.091 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -4.796 -0.640 0.039 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -0.698 0.509 -0.586 0.00 0.00 +0.198 C ATOM 9 O LIG 1 -0.366 1.323 -1.439 0.00 0.00 -0.286 OA ATOM 10 C LIG 1 0.344 -0.083 0.299 0.00 0.00 +0.037 C ATOM 11 C LIG 1 -3.812 -1.012 0.955 0.00 0.00 +0.129 A ATOM 12 C LIG 1 -0.013 -0.800 1.369 0.00 0.00 +0.064 C ENDROOT BRANCH 10 13 ATOM 13 C LIG 1 1.780 0.109 0.008 0.00 0.00 +0.031 A ATOM 14 C LIG 1 2.653 0.781 0.881 0.00 0.00 +0.170 A ATOM 15 C LIG 1 4.011 0.872 0.579 0.00 0.00 +0.201 A ATOM 16 C LIG 1 4.510 0.321 -0.601 0.00 0.00 +0.162 A ATOM 17 C LIG 1 3.663 -0.329 -1.489 0.00 0.00 +0.050 A ATOM 18 C LIG 1 2.303 -0.435 -1.182 0.00 0.00 +0.016 A BRANCH 14 19 ATOM 19 O LIG 1 2.205 1.361 2.038 0.00 0.00 -0.503 OA ATOM 20 H LIG 1 1.340 1.761 1.854 0.00 0.00 +0.292 HD ENDBRANCH 14 19 BRANCH 15 21 ATOM 21 O LIG 1 4.874 1.519 1.423 0.00 0.00 -0.501 OA ATOM 22 H LIG 1 5.747 1.445 0.992 0.00 0.00 +0.292 HD ENDBRANCH 15 21 BRANCH 16 23 ATOM 23 O LIG 1 5.849 0.451 -0.848 0.00 0.00 -0.503 OA ATOM 24 H LIG 1 6.041 0.045 -1.711 0.00 0.00 +0.292 HD ENDBRANCH 16 23 ENDBRANCH 10 13 BRANCH 5 25 ATOM 25 O LIG 1 -2.810 1.136 -2.441 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 -3.615 1.401 -2.914 0.00 0.00 +0.292 HD ENDBRANCH 5 25 BRANCH 11 27 ATOM 27 O LIG 1 -4.189 -1.754 2.037 0.00 0.00 -0.506 OA ATOM 28 H LIG 1 -5.153 -1.866 2.067 0.00 0.00 +0.292 HD ENDBRANCH 11 27 TORSDOF 6