REMARK  Name = BDB062647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.047  -0.962   1.081  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        0.894  -1.762   0.341  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.123  -1.093   0.258  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        3.186  -1.733  -0.422  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.988  -2.983  -1.016  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.754  -3.614  -0.936  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.986   0.156   0.956  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.690  -3.019  -0.255  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.707   0.169   1.485  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.950   1.243   1.166  0.00  0.00    +0.220 C 
ATOM     11  O   LIG    1        2.925   1.917   2.195  0.00  0.00    -0.284 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.888   1.470   0.077  0.00  0.00    +0.148 A 
ATOM     13  S   LIG    1        3.332   1.844  -1.509  0.00  0.00    -0.072 S 
ATOM     14  C   LIG    1        4.959   2.000  -2.027  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        5.809   1.783  -0.965  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        5.199   1.488   0.238  0.00  0.00    -0.244 NA
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  17
ATOM     17  C   LIG    1       -1.329  -1.273   1.452  0.00  0.00    +0.157 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -4.160   0.949  -0.954  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -3.901   1.332   0.361  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -2.986   0.611   1.138  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.319  -0.505   0.612  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -2.582  -0.881  -0.711  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -3.496  -0.159  -1.483  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.705   2.715  -1.334  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.025   1.563  -1.817  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5