REMARK  Name = BDB063994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.400   1.245   0.921  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1        0.501   1.480   2.248  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.211   1.836   2.859  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.766   1.205   2.650  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.247   1.298   3.761  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.412   0.764   1.384  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.690   0.366   1.342  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.493   0.823   0.358  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.423  -0.106   0.157  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.224   0.452  -1.116  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.986  -0.028  -2.196  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.943  -1.032  -2.038  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.617  -1.401  -3.191  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.176  -0.687  -4.200  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.146  -1.573  -0.754  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.950   0.456  -3.851  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.391  -1.102   0.328  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.754   1.442   0.238  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -0.690   1.131  -0.727  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.094   1.411   0.794  0.00  0.00    +0.107 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -5.963  -0.102  -1.234  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.780   0.034  -0.387  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -3.628  -0.659  -0.985  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -2.534  -1.000   0.036  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -2.504  -0.016   1.214  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -3.887  -0.004   1.901  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -5.038  -0.426   0.976  0.00  0.00    +0.084 C 
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4