REMARK  Name = BDB012083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.301   0.869  -0.385  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.401  -0.037  -0.933  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.780  -1.405  -1.417  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.048   0.492  -0.992  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.006   1.772  -0.467  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -1.525   2.336   0.052  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.125  -0.234  -1.500  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.170   0.555  -1.921  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.108   1.562  -1.877  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.165  -1.460  -1.556  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.437   0.009  -2.350  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.413   0.089  -1.213  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.915   1.473  -0.921  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.500   2.456  -1.530  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        5.852   1.593   0.073  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.176   2.535   0.253  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.328   0.545   0.820  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.338   0.864   1.879  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.870  -0.691   0.575  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.888  -0.938  -0.473  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        4.483  -2.380  -0.616  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -3.649   0.641  -0.201  0.00  0.00    -0.321 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.103   0.384   1.205  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1       -3.101  -0.434   2.034  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1       -3.625  -0.660   3.450  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1       -5.049  -0.704   3.531  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -5.633  -1.295   2.378  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1       -5.452  -0.370   1.183  0.00  0.00    +0.050 C 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -4.411   1.328  -2.468  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -4.541   1.551  -0.965  0.00  0.00    +0.102 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 6