REMARK  Name = BDB012119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.994   0.383  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -0.248   0.030  -0.167  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        0.037   1.489   0.039  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.341  -0.492  -0.974  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.259  -1.867  -1.078  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1        0.009  -2.533  -0.170  0.00  0.00    -0.099 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.413   0.235  -1.663  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -2.857   1.359  -1.009  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.573   1.501  -0.048  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.913  -0.171  -2.708  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.016   2.100  -1.450  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.235   1.591  -0.737  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.314   1.979   0.711  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.417   2.610   1.264  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -6.434   1.582   1.396  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -6.465   1.853   2.371  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.454   0.843   0.854  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -8.592   0.481   1.756  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -7.381   0.481  -0.435  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -6.247   0.866  -1.266  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -6.328   0.382  -2.688  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        1.730  -0.841   1.329  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.951  -0.554   0.545  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.884   0.326   1.262  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        5.311   0.322   0.692  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        5.286   0.076  -0.823  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1        4.611  -1.280  -1.125  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1        3.624  -1.714  -0.032  0.00  0.00    +0.086 C 
BRANCH  26  29
ATOM     29  N   LIG    1        6.584   0.185  -1.528  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        6.962   1.582  -1.750  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        7.682  -0.533  -0.882  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1        0.743  -2.014   3.384  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1        1.888  -1.972   2.376  0.00  0.00    +0.021 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7