REMARK  Name = BDB062627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.591  -0.344  -0.892  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.947  -0.611  -1.811  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.841  -0.387  -0.868  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.498  -0.518   0.356  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.885  -0.515   0.361  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -3.783  -0.649   1.546  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -5.173  -0.510   0.912  0.00  0.00    +0.118 C 
ATOM      8  N   LIG    1       -4.993  -0.407  -0.546  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1       -6.008  -0.314  -1.482  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1       -5.847  -0.236  -2.699  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -7.408  -0.322  -0.916  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.614  -0.384  -0.822  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -2.967  -0.242  -2.039  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.567  -0.234  -2.058  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.247   1.196  -0.546  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1        0.589   1.806   0.590  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.314   1.874  -1.827  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        5.285   0.983  -0.497  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        3.966   1.271  -0.842  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1        2.906   0.784  -0.063  0.00  0.00    +0.153 A 
ATOM     21  C   LIG    1        3.148   0.009   1.078  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1        4.476  -0.278   1.411  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        5.537   0.205   0.631  0.00  0.00    +0.049 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.589   1.282  -1.007  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        6.225   1.511  -1.336  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
BRANCH  21  26
ATOM     26  O   LIG    1        2.070  -0.443   1.782  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        2.304  -1.011   3.064  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 5