REMARK  Name = BDB013212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171   0.701   0.180  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.920   1.465   1.119  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.288   1.437   1.003  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.756   2.290   1.958  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.753   2.761   2.663  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.959   0.677   0.042  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.275  -0.018  -0.826  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.592   2.242   2.132  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.897   0.005  -0.725  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.102   0.442   0.066  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -3.401   0.595  -1.079  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -2.049   0.680  -1.010  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -1.305   0.607   0.163  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.039   0.478   1.339  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.434   0.400   1.289  0.00  0.00    +0.044 A 
BRANCH  10  20
ATOM     16  C   LIG    1       -8.904  -1.408  -1.628  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1       -8.248  -0.584  -0.617  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -7.255  -1.379   0.136  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -6.215  -0.528   0.904  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1       -5.486   0.376   0.000  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1       -6.090   0.596  -1.323  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1       -7.632   0.625  -1.210  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        4.335   0.669  -0.015  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.601   0.272  -0.917  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.078  -0.053   1.015  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.548  -0.024   0.682  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1        7.245  -1.129   0.140  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        8.601  -0.998  -0.144  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1        9.096  -2.159  -0.653  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1        8.066  -3.041  -0.705  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1        9.341   0.162   0.065  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        8.648   1.254   0.588  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.911  -2.462  -0.233  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1        7.285   1.166   0.887  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5