REMARK  Name = BDB057740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.759  -0.364   0.138  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        0.072   0.721  -0.402  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.310   0.633  -0.547  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.031  -0.518  -0.145  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.315  -1.578   0.426  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.074  -1.503   0.572  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        4.079   2.575   2.980  0.00  0.00    +0.090 C 
ATOM      8  C   LIG    1        4.714   1.540   2.140  0.00  0.00    +0.152 A 
ATOM      9  N   LIG    1        4.003   0.698   1.322  0.00  0.00    -0.196 N 
ATOM     10  C   LIG    1        4.941  -0.106   0.726  0.00  0.00    +0.186 A 
ATOM     11  C   LIG    1        4.507  -1.105  -0.219  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.127  -1.200  -0.464  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        2.229  -0.266   0.309  0.00  0.00    +0.100 A 
ATOM     14  C   LIG    1        2.659  -2.111  -1.417  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.561  -2.941  -2.090  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.928  -2.858  -1.824  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.405  -1.937  -0.892  0.00  0.00    +0.012 A 
ATOM     18  N   LIG    1        6.144   0.221   1.147  0.00  0.00    -0.127 NA
ATOM     19  N   LIG    1        2.651   0.651   1.139  0.00  0.00    -0.163 NA
ATOM     20  N   LIG    1        6.001   1.261   2.041  0.00  0.00    -0.132 NA
ENDBRANCH   1  13
BRANCH   4  21
ATOM     21  N   LIG    1       -3.432  -0.525  -0.301  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1       -4.028  -1.748  -0.883  0.00  0.00    +0.133 C 
ATOM     23  C   LIG    1       -5.553  -1.709  -0.704  0.00  0.00    +0.178 C 
ATOM     24  O   LIG    1       -5.953  -1.730   0.676  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -4.987  -1.137   1.559  0.00  0.00    +0.178 C 
ATOM     26  C   LIG    1       -4.149  -0.025   0.907  0.00  0.00    +0.133 C 
ENDBRANCH   4  21
BRANCH   3  27
ATOM     27  N   LIG    1       -2.054   1.735  -1.091  0.00  0.00    -0.219 N 
ATOM     28  H   LIG    1       -2.976   1.395  -1.397  0.00  0.00    +0.173 HD
BRANCH  27  29
ATOM     29  S   LIG    1       -2.336   3.036  -0.041  0.00  0.00    +0.040 S 
ATOM     30  O   LIG    1       -3.716   3.421  -0.251  0.00  0.00    -0.155 OA
ATOM     31  O   LIG    1       -1.832   2.744   1.282  0.00  0.00    -0.155 OA
ATOM     32  C   LIG    1       -1.310   4.285  -0.782  0.00  0.00    +0.218 C 
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 4