REMARK  Name = BDB001769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.924   0.609  -0.624  0.00  0.00    +0.094 C 
ATOM      2  C   LIG    1        1.121  -0.430  -0.307  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        8.930  -1.440   0.289  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        7.690  -0.800  -0.270  0.00  0.00    -0.048 A 
ATOM      5  C   LIG    1        6.460  -0.966   0.389  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        5.340  -0.372  -0.198  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        5.390   0.350  -1.382  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        4.145   0.820  -1.720  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1        3.323   0.391  -0.782  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1        6.616   0.501  -2.041  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        4.019  -0.324   0.170  0.00  0.00    -0.337 N 
ATOM     12  H   LIG    1        3.633  -0.731   1.008  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        7.758  -0.085  -1.476  0.00  0.00    +0.005 A 
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -0.338  -0.378  -0.130  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -1.144  -1.230  -0.886  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -2.535  -1.199  -0.703  0.00  0.00    +0.148 A 
ATOM     17  C   LIG    1       -3.170  -0.357   0.223  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1       -2.334   0.481   0.976  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -0.941   0.467   0.810  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -4.564  -0.333   0.374  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -5.085  -0.499   1.743  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -5.823   0.747   2.224  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.978   1.117   1.292  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.701   0.751  -0.167  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.205   0.705  -0.459  0.00  0.00    +0.105 C 
ENDBRANCH  17  20
BRANCH  16  26
ATOM     26  N   LIG    1       -3.321  -2.123  -1.490  0.00  0.00    +0.058 N 
ATOM     27  O   LIG    1       -3.750  -1.715  -2.579  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -3.432  -3.278  -1.053  0.00  0.00    -0.126 OA
ENDBRANCH  16  26
ENDBRANCH   2  14
BRANCH   1  29
ATOM     29  C   LIG    1        1.410   1.922  -0.871  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.958   2.981  -1.019  0.00  0.00    -0.191 NA
ENDBRANCH   1  29
TORSDOF 5