REMARK  Name = BDB037914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   1.747  -0.491  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.349   2.747  -0.558  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1       -1.319   3.443  -1.766  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.256   4.452  -2.067  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.235   4.772  -1.126  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.284   4.107   0.089  0.00  0.00    +0.001 A 
ATOM      7  S   LIG    1       -0.036   2.907  -2.766  0.00  0.00    -0.083 S 
ATOM      8  C   LIG    1       -2.354   3.105   0.381  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.523   1.769  -1.612  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  19
ATOM     10  O   LIG    1       -5.655  -2.514   2.608  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.588  -2.395   2.030  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1       -3.968  -3.373   1.309  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -4.358  -4.296   1.198  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -2.783  -3.003   0.754  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1       -2.091  -3.752   0.079  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -2.527  -1.519   1.145  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -2.178  -0.536   0.006  0.00  0.00    +0.126 C 
ATOM     18  N   LIG    1       -1.194   0.030   0.925  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -0.111   0.826   0.623  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1        0.947   0.773   1.245  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -1.150  -1.174   1.750  0.00  0.00    +0.126 C 
ATOM     22  C   LIG    1       -3.743  -1.142   1.999  0.00  0.00    +0.115 C 
ENDBRANCH   1  19
BRANCH   9  23
ATOM     23  C   LIG    1        1.696   0.979  -1.978  0.00  0.00    +0.252 C 
ATOM     24  N   LIG    1        2.514   0.578  -0.940  0.00  0.00    -0.308 N 
ATOM     25  H   LIG    1        2.234   0.773   0.019  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        1.969   0.685  -3.141  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.669  -0.287  -1.153  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1        4.711  -0.099  -0.042  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        4.293  -0.722   1.289  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        3.880  -2.182   1.131  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        2.807  -2.354   0.061  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        3.247  -1.758  -1.275  0.00  0.00    +0.022 C 
ENDBRANCH  24  27
ENDBRANCH   9  23
TORSDOF 3