REMARK  Name = BDB011113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822  -1.433   1.056  0.00  0.00    +0.104 C 
ATOM      2  N   LIG    1       -0.044  -0.844   0.011  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        0.132   0.437  -0.444  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1        1.095   1.111  -0.045  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.009  -1.789  -0.352  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1       -0.962  -2.867   0.523  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -1.821  -3.937   0.354  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.696  -3.892  -0.727  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.664  -2.780  -1.564  0.00  0.00    +0.113 A 
ATOM     10  N   LIG    1       -1.830  -1.726  -1.403  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        0.035  -2.641   1.610  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.189  -1.857   0.479  0.00  0.00    +0.129 C 
BRANCH  12  17
ATOM     13  C   LIG    1        6.585  -3.176   2.071  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1        5.166  -2.967   2.219  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1        4.859  -2.583   3.101  0.00  0.00    +0.150 HD
ATOM     16  C   LIG    1        4.444  -2.500   1.146  0.00  0.00    +0.299 C 
ATOM     17  N   LIG    1        3.132  -2.288   1.505  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        2.812  -2.986   2.160  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1        4.902  -2.310   0.029  0.00  0.00    -0.253 OA
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1       -0.885   1.084  -1.417  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.136   2.419  -0.840  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -0.340   3.046  -0.858  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1       -1.996   2.554   0.241  0.00  0.00    +0.230 C 
ATOM     24  O   LIG    1       -2.705   1.629   0.629  0.00  0.00    -0.274 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -1.953   3.962   0.892  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -0.635   4.130   1.649  0.00  0.00    +0.034 C 
BRANCH  25  27
ATOM     27  N   LIG    1       -3.070   4.185   1.833  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -2.905   5.040   2.360  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.348   4.311   1.138  0.00  0.00    +0.101 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  20  21
BRANCH  20  30
ATOM     30  C   LIG    1       -0.277   1.234  -2.831  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -1.254   1.938  -3.781  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        0.141  -0.100  -3.450  0.00  0.00    +0.009 C 
ENDBRANCH  20  30
ENDBRANCH   3  20
TORSDOF 7