REMARK  Name = BDB004022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.493  -2.433   3.136  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.675  -1.667   2.148  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.222  -0.841   1.176  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.444  -0.160   0.313  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        0.886  -0.307   0.383  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.491  -1.089   1.283  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        0.700  -1.752   2.143  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -2.631  -0.705   1.114  0.00  0.00    -0.298 N 
ATOM      9  H   LIG    1       -3.061  -1.635   1.118  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.396   0.204   0.336  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.675  -0.143  -0.164  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -5.433   0.795  -0.887  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -4.946   2.083  -1.105  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.703   2.445  -0.597  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.943   1.518   0.122  0.00  0.00    +0.024 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -5.212  -1.512   0.060  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -4.628  -2.416   0.636  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -6.447  -1.695  -0.440  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -6.665  -2.625  -0.223  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  N   LIG    1        1.601   0.431  -0.557  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        0.941   0.921  -1.143  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.955   0.543  -0.884  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.325   1.434  -1.907  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.664   1.612  -2.271  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        5.663   0.908  -1.600  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        5.320   0.006  -0.591  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        3.975  -0.164  -0.236  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.072   1.122  -2.001  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.423   1.265  -3.158  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.915   1.190  -0.948  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        7.473   1.229  -0.079  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 8