REMARK Name = BDB045680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.921 -0.175 -0.467 0.00 0.00 +0.127 A ATOM 2 C LIG 1 3.094 -1.200 -0.933 0.00 0.00 +0.093 A ATOM 3 C LIG 1 1.720 -1.109 -0.733 0.00 0.00 +0.150 A ATOM 4 O LIG 1 0.908 -2.180 -1.226 0.00 0.00 -0.421 OA ATOM 5 C LIG 1 -0.506 -2.220 -1.092 0.00 0.00 +0.349 A ATOM 6 C LIG 1 -1.088 -1.087 -0.412 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -0.285 -0.077 0.049 0.00 0.00 +0.157 A ATOM 8 O LIG 1 -0.990 0.903 0.659 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -2.300 0.511 0.591 0.00 0.00 +0.140 A ATOM 10 C LIG 1 -3.378 1.236 1.103 0.00 0.00 +0.096 A ATOM 11 C LIG 1 -4.631 0.654 0.924 0.00 0.00 +0.162 A ATOM 12 C LIG 1 -4.782 -0.573 0.274 0.00 0.00 +0.159 A ATOM 13 C LIG 1 -3.692 -1.280 -0.231 0.00 0.00 +0.061 A ATOM 14 C LIG 1 -2.413 -0.719 -0.066 0.00 0.00 +0.039 A ATOM 15 O LIG 1 -1.162 -3.157 -1.530 0.00 0.00 -0.244 OA ATOM 16 C LIG 1 1.144 -0.014 -0.074 0.00 0.00 +0.102 A ATOM 17 C LIG 1 1.976 1.002 0.387 0.00 0.00 +0.135 A ATOM 18 C LIG 1 3.358 0.925 0.193 0.00 0.00 +0.092 A ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 6.144 0.649 -0.263 0.00 0.00 +0.277 C ATOM 20 O LIG 1 5.253 -0.364 -0.716 0.00 0.00 -0.495 OA ENDBRANCH 1 20 BRANCH 11 21 ATOM 21 O LIG 1 -5.770 1.264 1.381 0.00 0.00 -0.503 OA ATOM 22 H LIG 1 -5.521 2.101 1.809 0.00 0.00 +0.292 HD ENDBRANCH 11 21 BRANCH 12 23 ATOM 23 O LIG 1 -6.033 -1.104 0.122 0.00 0.00 -0.503 OA ATOM 24 H LIG 1 -6.634 -0.456 0.541 0.00 0.00 +0.292 HD ENDBRANCH 12 23 BRANCH 17 25 ATOM 25 O LIG 1 1.504 2.107 1.040 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 0.532 2.029 1.104 0.00 0.00 +0.292 HD ENDBRANCH 17 25 TORSDOF 4