REMARK  Name = BDB061594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875   0.383  -0.576  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.174   0.996   0.630  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.313   2.013   1.012  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        0.773   2.373   0.293  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        0.983   1.717  -0.852  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        0.190   0.752  -1.328  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.186  -2.787  -2.355  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -2.954  -1.596  -3.043  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.201  -0.571  -2.463  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.665  -0.709  -1.173  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.889  -1.921  -0.499  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.646  -2.948  -1.080  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.226  -4.924  -2.361  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.939  -3.704  -3.033  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1       -2.300   0.615   1.419  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -3.193   0.280   2.081  0.00  0.00    -0.191 NA
ENDBRANCH   2  15
BRANCH   3  17
ATOM     17  S   LIG    1       -0.506   2.936   2.532  0.00  0.00    -0.042 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.721   4.075   1.981  0.00  0.00    +0.141 A 
ATOM     19  S   LIG    1       -2.058   5.524   2.839  0.00  0.00    -0.069 S 
ATOM     20  C   LIG    1       -3.264   5.912   1.684  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.332   4.917   0.734  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1       -2.451   3.867   0.906  0.00  0.00    -0.241 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   5  23
ATOM     23  S   LIG    1        2.393   2.150  -1.828  0.00  0.00    -0.081 S 
BRANCH  23  24
ATOM     24  C   LIG    1        3.654   2.211  -0.520  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.867   0.892   0.186  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        4.418  -0.205  -0.490  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.602  -1.425   0.167  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.253  -1.566   1.514  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        4.420  -2.885   2.208  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        3.695  -0.475   2.189  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        3.510   0.744   1.533  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 8