REMARK Name = BDB005141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.619 0.101 -2.102 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.013 -1.200 -2.643 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.612 1.870 -0.926 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.668 0.867 -1.199 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.565 1.165 -1.810 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.846 2.504 -2.119 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.087 3.506 -1.854 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.313 3.189 -1.266 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.858 2.284 0.101 0.00 0.00 +0.248 C ATOM 10 N LIG 1 2.824 1.468 -0.324 0.00 0.00 -0.281 N ATOM 11 H LIG 1 2.907 0.481 -0.125 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 3.890 3.508 0.090 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 7.270 0.254 1.754 0.00 0.00 +0.155 A ATOM 14 C LIG 1 6.808 1.465 2.285 0.00 0.00 +0.165 A ATOM 15 F LIG 1 7.432 2.020 3.335 0.00 0.00 -0.202 F ATOM 16 C LIG 1 5.706 2.123 1.746 0.00 0.00 +0.055 A ATOM 17 C LIG 1 5.033 1.560 0.661 0.00 0.00 +0.040 A ATOM 18 C LIG 1 5.492 0.356 0.106 0.00 0.00 +0.017 A ATOM 19 C LIG 1 6.605 -0.296 0.655 0.00 0.00 +0.049 A BRANCH 13 21 ATOM 20 C LIG 1 8.913 -1.474 1.816 0.00 0.00 +0.277 C ATOM 21 O LIG 1 8.358 -0.292 2.379 0.00 0.00 -0.492 OA ENDBRANCH 13 21 ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 N LIG 1 -2.350 -0.131 -0.855 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.784 -0.620 -0.171 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.638 -0.686 -0.932 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.383 -0.883 0.249 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -5.665 -1.454 0.104 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.416 -1.681 1.279 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -5.915 -1.341 2.549 0.00 0.00 +0.053 A ATOM 29 C LIG 1 -4.668 -0.766 2.660 0.00 0.00 +0.125 A ATOM 30 F LIG 1 -4.189 -0.437 3.866 0.00 0.00 -0.205 F ATOM 31 N LIG 1 -6.137 -1.763 -1.122 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -5.360 -1.499 -2.179 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -3.903 -0.531 1.532 0.00 0.00 +0.051 A ATOM 34 N LIG 1 -4.137 -0.975 -2.142 0.00 0.00 -0.220 NA BRANCH 27 35 ATOM 35 C LIG 1 -7.780 -2.294 1.274 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -8.376 -2.534 2.319 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -8.360 -2.587 0.077 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -7.872 -2.417 -0.798 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -9.275 -3.013 0.067 0.00 0.00 +0.145 HD ENDBRANCH 27 35 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7