REMARK Name = BDB027106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.840 -0.552 -1.178 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.083 -1.929 -0.574 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.969 -3.079 -1.374 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.198 -4.346 -0.835 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.550 -4.481 0.506 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.675 -3.351 1.310 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.447 -2.082 0.775 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.229 0.226 -0.353 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.113 0.999 0.549 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.332 1.508 0.802 0.00 0.00 +0.039 A ATOM 11 C LIG 1 5.228 0.531 -0.201 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.941 0.122 -0.582 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.778 0.638 -0.008 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.655 -0.003 -0.640 0.00 0.00 +0.044 A ATOM 15 C LIG 1 2.186 -0.886 -1.566 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.912 1.607 1.010 0.00 0.00 +0.011 A ATOM 17 N LIG 1 3.552 -0.808 -1.515 0.00 0.00 -0.360 N ATOM 18 H LIG 1 4.189 -1.357 -2.078 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.186 2.028 1.409 0.00 0.00 +0.014 A BRANCH 10 23 ATOM 20 C LIG 1 8.947 2.596 0.634 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.665 2.016 0.321 0.00 0.00 -0.314 N ATOM 22 H LIG 1 7.403 1.954 -0.653 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 6.660 1.997 1.268 0.00 0.00 +0.244 C ATOM 24 O LIG 1 6.808 2.387 2.420 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.071 0.273 -1.256 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.393 0.452 -0.302 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.141 -0.320 -2.057 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.373 0.600 -2.115 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.085 0.733 -0.787 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.878 1.861 0.018 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.516 1.976 1.256 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.369 0.962 1.700 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.578 -0.168 0.903 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.938 -0.282 -0.333 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.026 1.077 2.970 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.561 1.167 3.996 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9