REMARK  Name = BDB059417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.110   0.312  -0.436  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.070   1.142  -0.885  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.342   2.377  -1.474  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.659   2.824  -1.573  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.701   2.032  -1.088  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.429   0.780  -0.532  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        0.835  -3.643   2.779  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        0.722  -2.791   1.566  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1        0.159  -3.142   0.351  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        0.267  -2.070  -0.518  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.175  -2.169  -1.837  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -0.738  -3.305  -2.270  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -0.876  -4.373  -1.415  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.303  -5.234  -1.733  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        0.863  -1.010   0.148  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -0.458  -4.377  -0.092  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -0.619  -5.373   0.607  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.177  -1.454   1.423  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        4.033   2.526  -1.188  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        4.224   3.233  -1.897  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.957   2.748   0.202  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        5.016   1.519   0.960  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        6.163   3.419  -0.237  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        3.992   3.934   1.118  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1       -1.241   0.742  -0.828  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.822   1.108   0.434  0.00  0.00    +0.235 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.275   0.585   0.521  0.00  0.00    -0.004 C 
ATOM     28  C   LIG    1       -4.125   1.182  -0.612  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -3.298  -0.949   0.406  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -3.873   0.998   1.875  0.00  0.00    +0.014 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6