REMARK  Name = BDB013013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.098   0.032  -0.540  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.257  -0.390  -1.607  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.071  -0.590  -1.317  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.640  -1.012  -2.484  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.734  -1.045  -3.436  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.625  -0.387  -0.046  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.845  -0.011   0.932  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.464  -0.651  -2.882  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.497   0.177   0.662  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.345   0.700  -0.912  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.744  -0.439  -1.462  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.367  -0.651  -1.337  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.557   0.269  -0.658  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.158   1.418  -0.124  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.535   1.630  -0.247  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.836   0.931  -1.051  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.455   1.000   1.317  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.696   0.392   0.013  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        7.668  -1.064   0.096  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.975  -0.589   0.138  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.591  -0.585  -0.666  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.629  -0.244   1.385  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.101  -0.532   1.263  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -6.016   0.440   0.866  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.820   1.882   0.583  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.172   2.199  -0.056  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -8.138   1.212   0.369  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.367   0.143   0.747  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.869  -1.115   1.006  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -6.970  -2.111   1.383  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.599  -1.825   1.504  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6