REMARK  Name = BDB035336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.324  -3.225  -3.061  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.955  -3.032  -2.639  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.491  -2.285  -1.575  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.891  -2.445  -1.600  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.137  -3.294  -2.700  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.020  -3.654  -3.330  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.833  -1.874  -0.652  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.784  -0.509  -0.320  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -2.664   0.053   0.621  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -3.633  -0.792   1.191  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.602  -0.238   2.166  0.00  0.00    +0.256 A 
ATOM     12  N   LIG    1       -4.473   1.100   2.447  0.00  0.00    -0.328 N 
ATOM     13  H   LIG    1       -5.143   1.467   3.113  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1       -3.516   1.919   1.913  0.00  0.00    +0.091 A 
ATOM     15  O   LIG    1       -5.467  -0.928   2.691  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.708  -2.150   0.852  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.598   1.486   1.029  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -2.806  -2.688  -0.064  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -1.499   2.351   0.449  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.392   3.705   0.977  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1       -2.235   4.230   0.750  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -1.305   3.678   1.990  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.353  -1.562  -0.633  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        1.982  -0.344  -0.958  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1        2.753   0.311   0.013  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        2.929  -0.244   1.283  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.307  -1.447   1.604  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        1.520  -2.099   0.655  0.00  0.00    +0.011 A 
BRANCH  24  29
ATOM     29  C   LIG    1        1.821   0.252  -2.253  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        1.682   0.719  -3.307  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  25  31
ATOM     31  O   LIG    1        3.385   1.487  -0.314  0.00  0.00    -0.488 OA
BRANCH  31  32
ATOM     32  C   LIG    1        2.950   2.601   0.497  0.00  0.00    +0.174 C 
ATOM     33  C   LIG    1        3.619   3.909   0.172  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        3.975   3.180   1.433  0.00  0.00    +0.048 C 
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH   3  23
TORSDOF 7