REMARK  Name = BDB019783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230   0.754  -2.436  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.840   0.268  -1.275  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.242   0.324  -1.115  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.027   0.913  -2.127  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.413   1.374  -3.295  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.026   1.289  -3.450  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.032   0.698  -1.520  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1        1.616   0.834  -0.611  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.244   0.702  -2.650  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.698   0.694  -3.789  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.483   0.667  -1.596  0.00  0.00    +0.101 C 
ATOM     12  C   LIG    1        4.051   2.033  -1.997  0.00  0.00    +0.033 C 
BRANCH  11  15
ATOM     13  C   LIG    1        4.896  -1.718   1.031  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        4.415  -1.193  -0.170  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        4.037   0.155  -0.277  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        4.133   0.971   0.863  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        4.619   0.457   2.067  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        4.998  -0.887   2.145  0.00  0.00    +0.091 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.678  -3.639   2.193  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.229  -3.044   0.982  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  17  21
ATOM     21  O   LIG    1        4.763   1.155   3.237  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        4.471   2.546   3.201  0.00  0.00    +0.277 C 
ENDBRANCH  17  21
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -2.882  -0.175   0.167  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.208  -1.360   0.664  0.00  0.00    -0.329 N 
ATOM     25  H   LIG    1       -2.087  -2.084  -0.040  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.464  -1.908   1.886  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1       -2.938  -1.097   3.059  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -2.588  -2.050   4.175  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1       -2.712  -3.403   3.501  0.00  0.00    +0.143 C 
ATOM     30  N   LIG    1       -2.326  -3.183   2.094  0.00  0.00    -0.273 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
BRANCH   4  31
ATOM     31  O   LIG    1       -4.370   0.975  -1.871  0.00  0.00    -0.489 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -5.246   1.645  -2.785  0.00  0.00    +0.167 C 
ATOM     33  C   LIG    1       -5.724   0.670  -3.857  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.436   2.138  -1.964  0.00  0.00    +0.051 C 
ENDBRANCH  31  32
ENDBRANCH   4  31
TORSDOF 10