REMARK  Name = BDB017685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.231  -1.168  -0.348  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.042  -0.964   0.777  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.356  -0.511   0.628  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.897  -0.241  -0.638  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.293   0.254  -0.724  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.817   0.615  -1.964  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.113   0.959  -2.610  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.076   1.347  -2.055  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.063   0.788  -1.037  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.463   0.817   0.373  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.029   0.357   0.401  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.452   0.046   1.737  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.110   0.153   2.768  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.091  -0.480  -1.760  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.146  -0.347   1.769  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.770  -0.552   2.685  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.774  -0.936  -1.617  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.185  -1.685  -0.198  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.755   0.140   0.652  0.00  0.00    -0.306 N 
ATOM     20  C   LIG    1        4.356  -0.834   1.676  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        3.193  -1.705   1.153  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.974  -0.944   0.797  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.301   0.433   0.369  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        3.707   0.635  -0.243  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        8.222   1.456   0.099  0.00  0.00    +0.203 A 
ATOM     26  S   LIG    1        6.686   1.586  -0.645  0.00  0.00    -0.020 S 
ATOM     27  C   LIG    1        6.057   0.539   0.586  0.00  0.00    +0.185 A 
ATOM     28  N   LIG    1        6.993   0.165   1.439  0.00  0.00    -0.125 NA
ATOM     29  N   LIG    1        8.239   0.689   1.166  0.00  0.00    -0.129 NA
BRANCH  25  31
ATOM     30  N   LIG    1       10.328   2.660  -0.805  0.00  0.00    -0.189 NA
ATOM     31  C   LIG    1        9.391   2.114  -0.387  0.00  0.00    +0.128 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4