REMARK  Name = BDB008603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.914  -0.409  -0.138  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.449  -1.398   0.688  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.229  -1.832   0.177  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.429  -2.853   0.883  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.185  -3.354   2.032  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.414  -2.835   2.438  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        2.066  -3.383   3.675  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.045  -1.068  -1.007  0.00  0.00    -0.001 A 
ATOM      9  N   LIG    1        2.080  -1.854   1.789  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1        1.028  -0.200  -1.163  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.268  -1.196  -1.889  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -0.951  -1.098  -3.382  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.313  -0.255  -1.424  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.294  -0.792  -0.566  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.495  -2.010  -0.491  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.143   0.192   0.276  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -3.300   1.001   1.115  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.843   1.261   2.412  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -5.364   1.454   2.378  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -6.090   0.271   1.888  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.445  -0.272   2.675  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.199  -0.597   1.088  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.043   1.169  -1.493  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.074   2.155  -1.995  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.836   1.917  -2.789  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.159   0.320   0.054  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.351  -0.428  -0.543  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.710   0.193  -0.206  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.963   1.544  -0.869  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.366   3.822  -0.831  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.143   2.538  -0.262  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9