REMARK Name = BDB000519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.022 0.145 0.715 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -5.420 -0.549 -0.619 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -3.937 -0.370 -0.418 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.659 0.002 0.903 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.357 0.185 1.348 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.311 0.000 0.441 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -1.593 -0.379 -0.883 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.918 0.108 1.706 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -2.906 -0.574 -1.320 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.966 0.240 0.594 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -5.950 -0.030 -1.949 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -8.315 0.506 -1.808 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -7.423 -0.284 -2.067 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -7.707 -1.533 -2.480 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -8.687 -1.560 -2.509 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 0.371 0.592 2.025 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 1.887 0.729 2.102 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 2.415 1.782 1.129 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 3.830 1.919 1.264 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 4.644 1.132 0.495 0.00 0.00 +0.121 A ATOM 21 C LIG 1 6.007 1.444 0.601 0.00 0.00 +0.055 A ATOM 22 C LIG 1 6.957 0.709 -0.134 0.00 0.00 +0.003 A ATOM 23 C LIG 1 6.513 -0.325 -0.955 0.00 0.00 +0.047 A ATOM 24 N LIG 1 7.625 -0.875 -1.552 0.00 0.00 -0.361 N ATOM 25 H LIG 1 7.603 -1.648 -2.202 0.00 0.00 +0.165 HD ATOM 26 C LIG 1 8.756 -0.224 -1.136 0.00 0.00 +0.083 A ATOM 27 C LIG 1 5.161 -0.661 -1.075 0.00 0.00 +0.030 A ATOM 28 C LIG 1 8.373 0.763 -0.256 0.00 0.00 +0.027 A ATOM 29 C LIG 1 4.234 0.087 -0.333 0.00 0.00 +0.047 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9