REMARK  Name = BDB045710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.436   0.437   0.482  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.686   1.234  -0.411  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.242   1.344  -0.118  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -1.155   2.438   0.941  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.176   3.446   0.424  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -3.173   2.616  -0.406  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.621   0.765   1.653  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.227  -2.655   2.024  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -4.682  -2.386   1.750  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1       -4.983  -1.511   0.735  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1       -4.051  -0.828  -0.175  0.00  0.00    +0.165 C 
ATOM     12  C   LIG    1       -4.945  -0.455  -1.360  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -6.288  -0.157  -0.697  0.00  0.00    +0.134 C 
ATOM     14  C   LIG    1       -6.363  -1.223   0.394  0.00  0.00    +0.140 C 
ATOM     15  O   LIG    1       -5.561  -2.941   2.411  0.00  0.00    -0.276 OA
BRANCH  13  16
ATOM     16  O   LIG    1       -7.333  -0.249  -1.649  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1       -8.177  -0.203  -1.167  0.00  0.00    +0.210 HD
ENDBRANCH  13  16
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -0.462   0.051   0.202  0.00  0.00    +0.234 C 
ATOM     19  N   LIG    1        0.898   0.089   0.301  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.309  -0.807   0.537  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.012  -1.040   0.346  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        1.794   1.210   0.124  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.176   0.734  -0.234  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.481   0.379  -1.555  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.757  -0.084  -1.890  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.750  -0.206  -0.910  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        5.441   0.136   0.413  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        4.165   0.600   0.749  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.084  -0.700  -1.248  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        7.776  -1.810  -0.783  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        7.291  -2.825   0.191  0.00  0.00    +0.067 C 
ATOM     32  N   LIG    1        9.053  -1.967  -1.305  0.00  0.00    -0.252 NA
ATOM     33  C   LIG    1        9.307  -0.994  -2.149  0.00  0.00    +0.156 A 
ATOM     34  S   LIG    1        8.063   0.158  -2.373  0.00  0.00    -0.075 S 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  18
BRANCH   5  35
ATOM     35  O   LIG    1       -1.484   4.376  -0.412  0.00  0.00    -0.390 OA
ATOM     36  H   LIG    1       -2.116   5.076  -0.655  0.00  0.00    +0.210 HD
ENDBRANCH   5  35
TORSDOF 7