REMARK  Name = BDB012145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.068  -0.031   1.226  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.982   0.254   0.129  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.826   1.374  -0.857  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.046  -0.640   0.116  0.00  0.00    +0.023 A 
ATOM      5  S   LIG    1       -1.971  -1.769   1.397  0.00  0.00    -0.096 S 
ATOM      6  C   LIG    1       -0.541  -1.076   2.001  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.171  -0.726  -0.822  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -4.345   0.041  -0.658  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -4.504   1.010   0.495  0.00  0.00    +0.051 C 
ATOM     10  C   LIG    1       -5.953   1.466   0.696  0.00  0.00    +0.086 C 
ATOM     11  N   LIG    1       -6.549   1.891  -0.570  0.00  0.00    -0.312 NA
ATOM     12  H   LIG    1       -7.483   2.260  -0.400  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -6.655   0.744  -1.477  0.00  0.00    +0.116 C 
ATOM     14  C   LIG    1       -5.372  -0.042  -1.625  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -5.231  -0.916  -2.714  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.077  -1.679  -2.866  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.051  -1.582  -1.928  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  20
ATOM     18  N   LIG    1        1.919   1.101   0.519  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.672   0.785  -0.410  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        1.186   0.640   1.585  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1        1.569   0.727   2.747  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1        3.252   1.636   0.675  0.00  0.00    +0.145 C 
BRANCH  22  29
ATOM     23  C   LIG    1        7.098  -2.542  -0.589  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.132  -1.480  -0.164  0.00  0.00    +0.016 A 
ATOM     25  N   LIG    1        5.357  -0.910  -1.142  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        5.444  -1.216  -2.103  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.415   0.060  -0.917  0.00  0.00    +0.254 A 
ATOM     28  O   LIG    1        3.725   0.507  -1.830  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        4.257   0.535   0.499  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        5.028  -0.029   1.456  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1        4.996   0.313   2.921  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        5.985  -1.071   1.105  0.00  0.00    +0.024 A 
ENDBRANCH  22  29
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 4