REMARK Name = BDB014006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.358 0.500 -0.258 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.240 -0.234 0.479 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.417 -1.422 0.789 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.053 0.441 0.765 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.866 1.873 0.673 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.413 2.706 -0.326 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.139 4.100 -0.288 0.00 0.00 +0.005 A ATOM 8 C LIG 1 0.349 4.678 0.698 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.196 3.870 1.675 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.230 2.305 -1.534 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.059 2.496 1.658 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.792 0.903 -1.607 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.742 -0.000 -0.732 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.477 -0.430 -0.412 0.00 0.00 -0.303 N ATOM 15 H LIG 1 4.315 -1.375 -0.076 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.973 1.170 -1.039 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.831 -1.105 -0.774 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.895 -1.895 0.530 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 8.986 -1.248 -1.894 0.00 0.00 +0.101 C ATOM 20 N LIG 1 8.147 -0.464 -1.000 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 7.974 0.457 -1.420 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.011 -0.378 1.428 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.392 -0.239 0.844 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.567 -0.232 1.652 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.843 -0.093 1.028 0.00 0.00 -0.014 A ATOM 26 C LIG 1 -4.994 -0.065 1.850 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.923 -0.183 3.237 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.691 -0.337 3.844 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.925 0.007 -0.390 0.00 0.00 -0.035 A ATOM 30 C LIG 1 -2.755 -0.050 -1.159 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -2.535 -0.364 3.064 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.514 -0.182 -0.554 0.00 0.00 +0.006 A BRANCH 29 33 ATOM 33 C LIG 1 -5.242 0.163 -1.136 0.00 0.00 +0.070 C BRANCH 33 34 ATOM 34 C LIG 1 -6.120 -1.070 -1.204 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -5.586 -2.352 -1.407 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.423 -3.466 -1.498 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.804 -3.313 -1.402 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.350 -2.045 -1.219 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.515 -0.930 -1.126 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7