REMARK  Name = BDB048277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.606  -0.627  -2.771  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -1.884  -0.743  -1.407  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.766   0.150  -0.797  0.00  0.00    +0.123 A 
ATOM      4  N   LIG    1       -3.384   1.114  -1.509  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -3.119   1.205  -2.829  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -2.249   0.367  -3.501  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  14
ATOM      7  N   LIG    1        4.147  -1.910  -1.851  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.975  -1.950  -2.394  0.00  0.00    +0.168 C 
ATOM      9  N   LIG    1        2.700  -2.761  -3.466  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1        3.715  -3.610  -4.052  0.00  0.00    +0.140 C 
ATOM     11  C   LIG    1        1.416  -2.729  -3.961  0.00  0.00    +0.259 C 
ATOM     12  O   LIG    1        0.984  -3.373  -4.908  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1        0.590  -1.776  -3.169  0.00  0.00    +0.078 C 
ATOM     14  C   LIG    1       -0.699  -1.551  -3.462  0.00  0.00    +0.028 C 
ATOM     15  S   LIG    1        1.543  -1.055  -1.933  0.00  0.00    -0.049 S 
BRANCH   7  19
ATOM     16  C   LIG    1        4.905   0.594   1.454  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        5.059   1.076   0.147  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.809   0.245  -0.947  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.382  -1.071  -0.754  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1        4.243  -1.558   0.547  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        4.493  -0.731   1.644  0.00  0.00    +0.006 A 
BRANCH  16  23
ATOM     22  C   LIG    1        3.899   2.237   3.059  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        5.157   1.495   2.636  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH   7  19
ENDBRANCH   1  14
BRANCH   3  24
ATOM     24  N   LIG    1       -2.999  -0.010   0.591  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1       -2.108  -0.092   1.069  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.973   0.612   1.403  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -3.760   0.675   2.790  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -4.719   1.224   3.648  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -5.928   1.700   3.133  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -6.169   1.611   1.760  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -5.203   1.060   0.909  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -6.978   2.289   3.999  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -8.057   2.712   3.628  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -6.627   2.322   5.297  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -7.403   2.730   5.735  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 7