REMARK  Name = BDB029719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.883   1.585   1.817  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.273   1.051   0.909  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.168   0.248   1.062  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.698   0.180   1.957  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.568  -0.073  -0.218  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1       -1.169   0.513  -0.412  0.00  0.00    +0.142 C 
ATOM      7  N   LIG    1       -0.305  -0.521   0.157  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1       -0.973  -1.814   0.206  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -2.353  -1.565  -0.412  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.587   0.551  -1.163  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -3.555   0.533  -2.384  0.00  0.00    -0.273 OA
ATOM     12  N   LIG    1       -4.545   1.161  -0.413  0.00  0.00    -0.238 N 
ATOM     13  H   LIG    1       -5.305   1.705  -0.785  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        1.040  -0.343   0.189  0.00  0.00    +0.164 A 
ATOM     15  S   LIG    1        2.142  -1.564   0.727  0.00  0.00    -0.051 S 
ATOM     16  C   LIG    1        3.464  -0.510   0.457  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1        2.978   0.706  -0.017  0.00  0.00    +0.169 A 
ATOM     18  N   LIG    1        3.785   1.754  -0.325  0.00  0.00    -0.235 NA
ATOM     19  C   LIG    1        5.102   1.540  -0.140  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.668   0.365   0.327  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        4.837  -0.707   0.641  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        1.612   0.788  -0.158  0.00  0.00    -0.205 NA
ENDBRANCH   7  14
TORSDOF 1