REMARK  Name = BDB057635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927   0.678   1.085  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.121   0.852   0.371  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.241   0.050   0.639  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.131  -0.902   1.665  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.226  -1.705   1.980  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -4.165  -2.396   2.715  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.435  -1.618   1.357  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.582  -0.593   0.275  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.976  -0.553  -0.293  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -7.345   0.948  -1.242  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.802   1.018  -2.175  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.608   1.170  -1.235  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.357  -2.365   1.672  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.950  -1.063   2.398  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.529   0.174  -0.094  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.845  -0.265   2.112  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.010   2.776   0.750  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.218   1.565   0.774  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        1.462   1.000   0.521  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        2.596   1.900   0.305  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1        3.957   1.224   0.544  0.00  0.00    +0.124 C 
ATOM     22  N   LIG    1        4.109  -0.015  -0.245  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        2.878  -0.635  -0.761  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1        1.692  -0.415   0.200  0.00  0.00    +0.127 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.366  -0.447  -0.644  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.556  -1.268  -1.761  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        6.836  -1.678  -2.115  0.00  0.00    +0.112 A 
ATOM     28  N   LIG    1        7.948  -1.340  -1.438  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        7.764  -0.556  -0.360  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1        6.523  -0.097   0.063  0.00  0.00    +0.043 A 
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 2