REMARK  Name = BDB007742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.465  -2.514   0.578  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.859  -1.770  -1.776  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.345  -1.484  -0.687  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1        1.714  -1.768   0.504  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.081  -1.375   1.361  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.631  -0.742  -0.601  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        4.496  -0.901   0.494  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        5.701  -0.171   0.528  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.005   0.681  -0.534  0.00  0.00    +0.046 A 
ATOM     10  N   LIG    1        7.222   1.262  -0.252  0.00  0.00    -0.361 N 
ATOM     11  H   LIG    1        7.693   1.926  -0.852  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        7.698   0.804   0.947  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        5.166   0.840  -1.642  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.779  -0.087   1.453  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.974   0.108  -1.658  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.776  -1.806  -0.018  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.781  -1.926  -1.445  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.144  -1.804  -1.755  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -0.872  -0.324   0.422  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.134   0.408   0.200  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.242  -0.100   1.023  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.545   0.639   0.789  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.758   1.363  -0.398  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.982   2.011  -0.609  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.998   1.921   0.342  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.798   1.190   1.510  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.647   1.492  -1.411  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.579   0.549   1.733  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.539   0.447  -1.211  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6