REMARK  Name = BDB010469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.054   0.706   1.225  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.487   2.033   1.494  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.870   1.969   0.764  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        0.506   1.216  -0.543  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1       -0.803   0.465  -0.206  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.595   0.321  -1.078  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        2.172  -0.841  -0.462  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.150  -1.339  -1.329  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.915  -2.476  -1.021  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        3.675  -3.123   0.195  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.704  -2.653   1.072  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        3.160  -0.517  -2.434  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1        4.028  -0.681  -3.579  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1        1.949  -1.519   0.756  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.229   0.475  -2.298  0.00  0.00    +0.090 A 
ENDBRANCH   4   6
BRANCH   3  16
ATOM     16  N   LIG    1        1.566   3.276   0.697  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1        2.984   3.108   0.374  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        0.961   4.252  -0.205  0.00  0.00    +0.104 C 
ENDBRANCH   3  16
BRANCH   1  19
ATOM     19  C   LIG    1       -2.475   0.625   1.581  0.00  0.00    +0.123 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.089  -1.095   0.586  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -3.030  -0.782   1.459  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.468  -1.801   2.252  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -2.944  -3.108   2.180  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.990  -3.412   1.317  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.561  -2.413   0.524  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.622  -0.356  -1.088  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.590  -0.058  -0.157  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5