REMARK  Name = BDB046513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.860  -1.516   0.254  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.614  -2.746  -0.424  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.412  -2.910  -1.129  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.156  -4.069  -1.864  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.089  -5.101  -1.884  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.283  -4.963  -1.181  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.552  -1.940  -1.202  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.538  -1.075  -0.069  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.547  -3.792  -0.461  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.859  -0.545   0.293  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        1.047   0.608   0.677  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.191  -1.165   0.749  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.097  -0.623  -0.360  0.00  0.00    +0.022 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.570  -0.524   0.049  0.00  0.00    +0.030 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.838   0.319   1.296  0.00  0.00    +0.159 C 
BRANCH  15  17
ATOM     16  C   LIG    1        5.822   2.521   0.398  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        5.188   1.584   1.257  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1       -1.530   0.056  -0.366  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.999   0.793   0.888  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.970   1.795   0.556  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.279   1.426   0.371  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -5.128   2.449  -0.094  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.496   2.184  -0.271  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -7.011   0.917  -0.009  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.166  -0.095   0.435  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.806   0.158   0.628  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.604   3.836  -0.393  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.460   4.705   0.834  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -5.121   5.715   1.032  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.503   4.289   1.697  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -3.087   3.449   1.404  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 12