REMARK  Name = BDB034676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258  -0.601   0.026  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.533  -0.155  -0.372  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.619  -0.969  -0.117  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.982  -0.782  -0.395  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.706  -1.892   0.098  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -3.750  -2.773   0.644  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -4.034  -4.035   1.262  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.918  -2.043   0.070  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.478  -2.203   0.516  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -1.248  -2.675   0.912  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.135  -1.863   0.656  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.850   0.237  -0.267  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1        0.626   1.200  -0.029  0.00  0.00    +0.154 HD
BRANCH  12  20
ATOM     14  C   LIG    1        4.477   0.308   0.615  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        4.987  -0.757   0.069  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        4.120  -1.530  -0.650  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1        2.751  -1.228  -0.772  0.00  0.00    -0.200 N 
ATOM     18  N   LIG    1        2.131  -2.146  -1.571  0.00  0.00    -0.172 NA
ATOM     19  C   LIG    1        3.086  -3.006  -1.916  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        2.203  -0.078  -0.129  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        4.333  -2.679  -1.374  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.048   0.729   0.542  0.00  0.00    +0.079 A 
BRANCH  14  23
ATOM     23  C   LIG    1        5.378   1.232   1.423  0.00  0.00    +0.358 C 
ATOM     24  O   LIG    1        5.049   1.654   2.518  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.494   1.518   0.726  0.00  0.00    -0.460 OA
BRANCH  25  27
ATOM     26  C   LIG    1        8.621   2.585   0.525  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        7.409   2.377   1.412  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  14  23
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.578   0.390  -0.986  0.00  0.00    +0.129 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.993   1.402   0.084  0.00  0.00    +0.053 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.672   2.654  -0.476  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -4.742   3.510  -1.325  0.00  0.00    +0.037 C 
BRANCH  30  32
ATOM     32  O   LIG    1       -6.798   2.300  -1.270  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -7.394   1.760  -0.719  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9