REMARK  Name = BDB046840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.971   0.121   1.610  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        0.724  -0.731   0.434  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1       -0.769  -1.096   0.328  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -1.671   0.105   0.482  0.00  0.00    -0.042 C 
ATOM      5  C   LIG    1       -1.180   1.242   1.008  0.00  0.00    -0.008 C 
ATOM      6  C   LIG    1        0.243   1.395   1.466  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.079  -0.014   0.054  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -3.822  -1.164   0.344  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -5.153  -1.286  -0.075  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.781  -0.264  -0.803  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -5.032   0.883  -1.098  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.701   1.006  -0.678  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.180  -0.394  -1.244  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -8.130   0.595  -0.937  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -9.458   0.473  -1.355  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -9.859  -0.641  -2.089  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -8.933  -1.632  -2.405  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -7.606  -1.509  -1.985  0.00  0.00    +0.008 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        2.401   0.381   1.830  0.00  0.00    +0.085 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.162  -0.863   2.310  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.585  -0.540   2.770  0.00  0.00    +0.075 C 
BRANCH  21  30
ATOM     22  O   LIG    1        6.696   3.129   0.703  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        6.460   1.927   0.670  0.00  0.00    +0.259 A 
ATOM     24  C   LIG    1        6.952   1.055  -0.408  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        6.618  -0.301  -0.339  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        7.071  -1.151  -1.350  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        7.842  -0.653  -2.406  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.167   0.704  -2.460  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        5.844  -0.837   0.704  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1        5.437  -0.033   1.631  0.00  0.00    +0.110 A 
ATOM     31  C   LIG    1        7.721   1.565  -1.458  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1        5.715   1.307   1.641  0.00  0.00    -0.310 N 
ATOM     33  H   LIG    1        5.390   1.906   2.386  0.00  0.00    +0.170 HD
ENDBRANCH  21  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6