REMARK  Name = BDB048805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.820  -0.068   2.320  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.548  -0.286   1.758  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.750   0.809   1.369  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.253   2.094   1.551  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        0.298   2.966   1.088  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        0.385   3.972   1.103  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.797   2.288   0.604  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.512   2.345   2.105  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.547   0.932   0.770  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        3.287   1.242   2.480  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.942   2.993   0.038  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -1.789   3.788  -1.104  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.884   4.465  -1.644  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.138   4.354  -1.045  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.299   3.565   0.093  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.204   2.887   0.633  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  C   LIG    1        3.690  -1.246   2.694  0.00  0.00    +0.152 C 
BRANCH  17  20
ATOM     18  O   LIG    1        2.958  -3.207   0.760  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1        4.035  -2.623   0.681  0.00  0.00    +0.233 C 
ATOM     20  N   LIG    1        4.495  -1.686   1.573  0.00  0.00    -0.228 N 
ATOM     21  C   LIG    1        5.735  -1.160   1.354  0.00  0.00    +0.281 C 
ATOM     22  O   LIG    1        6.319  -0.337   2.041  0.00  0.00    -0.262 OA
ATOM     23  S   LIG    1        6.449  -1.844  -0.087  0.00  0.00    -0.058 S 
ATOM     24  C   LIG    1        5.014  -2.876  -0.433  0.00  0.00    +0.175 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   9  25
ATOM     25  C   LIG    1       -1.432  -0.210   0.367  0.00  0.00    +0.042 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.157  -0.663  -1.069  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.018  -1.839  -1.457  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -1.568  -3.149  -1.243  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -2.374  -4.236  -1.583  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.636  -4.024  -2.135  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.095  -2.725  -2.346  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.291  -1.636  -2.006  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 6