REMARK  Name = BDB041310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.950  -0.046   0.025  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.363  -0.373   1.254  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -1.020  -0.603   1.292  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.530  -0.962   2.539  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.800  -1.069   3.666  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.501  -0.818   3.518  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1       -1.792  -0.481   0.116  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.224  -0.182  -1.064  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1        1.111  -0.476   2.374  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.109   0.028  -1.084  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.161   0.738  -0.481  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        4.400   1.488   0.424  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.036   1.228   0.593  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.393   0.215  -0.137  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        3.164  -0.530  -1.045  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.527  -0.271  -1.217  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        6.635   1.028  -0.677  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.515  -0.588   0.908  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.498  -0.153  -0.492  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        8.860   0.149  -0.934  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  N   LIG    1       -3.180  -0.699   0.164  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -3.603  -0.085   0.855  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.867  -0.580  -1.118  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.347  -0.755  -0.886  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -6.221   0.323  -0.788  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.957   1.781  -0.850  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -7.394   2.290  -0.965  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -8.292   1.290  -0.433  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.570   0.128  -0.521  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.110  -1.127  -0.336  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.256  -2.225  -0.433  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.889  -2.041  -0.702  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 6