REMARK  Name = BDB032024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.391  -0.286  -0.259  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.146  -0.165   0.243  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.835  -0.376  -0.636  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.218  -0.317  -0.398  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.892  -0.553  -1.615  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.899  -0.809  -2.579  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.116  -1.079  -3.971  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.098  -0.535  -1.802  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.655  -0.685  -1.964  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.624  -0.787  -2.400  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.657  -0.590  -1.553  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.791   0.091   0.876  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.941  -0.830   1.326  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -5.173  -0.067   1.808  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.665   0.965   0.782  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -6.800   1.794   1.391  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.538   1.884   0.265  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.172   1.581   0.880  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -6.246   0.265  -0.323  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -5.526  -0.099  -0.883  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.407  -0.058   0.666  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.980   0.144   1.558  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.902   0.726   3.035  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.559   0.255   1.764  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.807  -0.128   0.632  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.516  -0.536  -0.505  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        5.925  -0.584  -0.530  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.667  -0.212   0.603  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1        8.012  -0.242   0.629  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        8.658  -0.647  -0.486  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.019  -1.032  -1.649  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.631  -0.999  -1.669  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1        5.968   0.200   1.726  0.00  0.00    +0.033 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4