REMARK  Name = BDB032778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.221  -2.068  -1.470  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.046  -0.999  -1.844  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.121  -0.701  -1.028  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.140   0.344  -1.182  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        3.959   0.275  -0.064  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.631  -0.862   0.786  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.227   1.109  -2.123  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.404  -1.411   0.138  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.596  -2.463   0.527  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.498  -2.786  -0.282  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.220   1.001   0.013  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.419   0.140  -0.421  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.330  -0.959  -0.964  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.656   0.678  -0.144  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.437   0.095  -0.416  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.931   1.560   0.869  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.069   1.680   1.313  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.770   2.376   1.387  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.489   1.556   1.409  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.979  -2.432  -2.310  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.165  -1.954  -1.667  0.00  0.00    -0.446 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.769  -0.371  -1.476  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -4.056   0.570  -1.710  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -2.660  -0.788  -2.147  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.196  -0.147  -3.080  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -4.205  -0.918  -0.212  0.00  0.00    +0.146 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.645   0.821   0.964  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1       -5.543  -0.351   0.191  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -6.715  -0.987  -0.255  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -7.970  -0.483   0.081  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.066   0.666   0.858  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.910   1.317   1.297  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -4.522   2.615   2.067  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -4.459   1.399   1.333  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7