REMARK  Name = BDB056783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.721   0.775  -0.582  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.579   0.065  -0.972  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.552   0.176  -0.153  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.572   0.969   0.990  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.793   0.910   1.608  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.540   0.115   0.863  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.575   1.692   1.353  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.815  -0.368  -0.207  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.294  -1.278  -1.220  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.719   1.593   0.552  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.815   0.676  -1.417  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -7.496   1.970  -1.260  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -6.393   1.073  -0.766  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -6.632   0.063   0.193  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.543  -0.690   0.686  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.720  -1.714   1.775  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -4.261  -0.502   0.144  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -4.043   0.469  -0.831  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -5.103   1.243  -1.292  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -7.897  -0.047   0.800  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -8.664   0.255   0.209  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -8.079  -0.957   1.208  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.964  -0.245   1.148  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.722   0.044  -0.026  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.063  -0.216   0.019  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.765  -0.735   1.108  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        8.145  -0.956   1.014  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.830  -0.658  -0.168  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        8.129  -0.137  -1.258  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        6.752   0.082  -1.160  0.00  0.00    +0.047 A 
BRANCH  28  31
ATOM     31  C   LIG    1       10.242  -0.887  -0.261  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       11.385  -1.076  -0.335  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7