REMARK  Name = BDB028879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169  -3.905  -0.121  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.388  -2.555  -0.324  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        0.869  -1.958  -0.429  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.009  -0.566  -0.646  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.115   0.166  -0.743  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.433  -0.540  -0.608  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        1.873  -2.871  -0.276  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.543  -1.833  -0.419  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.237  -4.029  -0.104  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.103  -6.031  -1.063  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -1.200  -4.980   0.045  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -1.107  -5.642   1.422  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.629   0.135  -0.685  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -3.380  -0.524  -0.492  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.842   1.453  -0.109  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.263   1.968  -0.405  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.399   3.437   0.055  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.179   3.565   1.373  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.516   2.965   1.335  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.231   3.660   1.122  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -6.647   1.801   0.463  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.327   1.067   0.259  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -5.062   4.194  -0.965  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -6.013   4.006  -0.893  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.312  -0.069  -0.758  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        2.989  -0.794  -0.490  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.740   1.270  -0.367  0.00  0.00    +0.166 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.211   1.541  -0.556  0.00  0.00    +0.096 A 
ATOM     29  S   LIG    1        4.821   1.953  -2.113  0.00  0.00    -0.079 S 
ATOM     30  C   LIG    1        6.400   2.046  -1.455  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        6.361   1.763  -0.107  0.00  0.00    +0.052 A 
ATOM     32  N   LIG    1        5.112   1.480   0.405  0.00  0.00    -0.247 NA
BRANCH  31  33
ATOM     33  C   LIG    1        7.602   1.744   0.837  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1        8.940   1.268   0.337  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        8.729   2.724   0.642  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 9