REMARK  Name = BDB025603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.630  -0.033  -0.217  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.743   0.943   0.450  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.539   0.690   1.084  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1        0.062   1.607   1.650  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -2.453   2.194   0.696  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.927   1.795   0.648  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.954   0.717  -0.424  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -0.577   0.135  -3.432  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -1.265   0.447  -2.204  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -0.925   1.220  -1.643  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -2.083  -0.477  -1.586  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -2.435  -1.527  -2.114  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -4.337   1.210   1.884  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -4.249   1.888   2.578  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.010  -0.745   1.082  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.431  -0.773   0.752  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.182  -1.860   1.038  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.384  -1.680   0.504  0.00  0.00    -0.127 NA
ATOM     19  C   LIG    1        3.364  -0.501  -0.186  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        2.126   0.083  -0.060  0.00  0.00    +0.141 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.554   0.086  -1.008  0.00  0.00    +0.130 A 
ATOM     22  S   LIG    1        6.081  -0.698  -1.103  0.00  0.00    -0.074 S 
ATOM     23  C   LIG    1        6.653   0.568  -2.109  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        5.650   1.493  -2.308  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1        4.450   1.216  -1.684  0.00  0.00    -0.246 NA
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1       -0.436  -1.429   2.410  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        0.387  -1.018   3.635  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -0.496  -2.955   2.293  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6