REMARK  Name = BDB003534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355   0.394   1.143  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.247   0.756   2.161  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.630   0.659   1.966  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.152   0.201   0.750  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.267  -0.163  -0.264  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.882  -0.067  -0.070  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.148   0.373   0.909  0.00  0.00    +0.259 A 
ATOM      8  O   LIG    1       -3.033   0.839   2.187  0.00  0.00    -0.332 OA
ATOM      9  N   LIG    1       -1.671   0.915   2.466  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1       -1.089   0.490   1.332  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1       -1.984   0.144   0.342  0.00  0.00    -0.187 NA
BRANCH   7  16
ATOM     12  C   LIG    1       -6.918   0.320   0.606  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1       -7.048  -0.169  -0.705  0.00  0.00    +0.204 A 
ATOM     14  C   LIG    1       -5.921  -0.446  -1.496  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1       -4.652  -0.265  -0.943  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1       -4.495   0.203   0.374  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -5.638   0.493   1.139  0.00  0.00    +0.063 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.995   1.245   2.526  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -8.086   0.575   1.276  0.00  0.00    -0.491 OA
ENDBRANCH  12  19
BRANCH  13  20
ATOM     20  O   LIG    1       -8.306  -0.301  -1.252  0.00  0.00    -0.488 OA
ATOM     21  C   LIG    1       -8.797  -1.621  -1.021  0.00  0.00    +0.277 C 
ENDBRANCH  13  20
BRANCH  14  22
ATOM     22  O   LIG    1       -6.165  -0.895  -2.768  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -5.052  -1.033  -3.640  0.00  0.00    +0.277 C 
ENDBRANCH  14  22
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  N   LIG    1        4.556   0.128   0.637  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        5.076   0.430   1.450  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        5.289  -0.220  -0.483  0.00  0.00    +0.248 C 
ATOM     27  O   LIG    1        4.856  -0.466  -1.602  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        6.764  -0.252  -0.278  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        7.589   0.188  -1.323  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1        8.951   0.152  -1.120  0.00  0.00    +0.167 A 
ATOM     31  O   LIG    1        9.898   0.547  -2.013  0.00  0.00    -0.453 OA
ATOM     32  C   LIG    1       11.105   0.273  -1.272  0.00  0.00    +0.466 C 
ATOM     33  O   LIG    1       10.858  -0.260   0.047  0.00  0.00    -0.453 OA
ATOM     34  C   LIG    1        9.500  -0.307   0.055  0.00  0.00    +0.166 A 
ATOM     35  C   LIG    1        8.717  -0.763   1.095  0.00  0.00    +0.050 A 
ATOM     36  C   LIG    1        7.329  -0.739   0.923  0.00  0.00    +0.017 A 
ENDBRANCH  26  28
ENDBRANCH   4  24
TORSDOF 7