REMARK  Name = BDB032963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800  -1.006   1.378  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.207  -1.366   0.446  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.521  -1.513   0.929  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.815  -1.323   2.294  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.815  -0.964   3.192  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.491  -0.814   2.738  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.190  -1.606  -0.898  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.198  -1.730  -1.031  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        0.542  -1.395  -2.046  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1        1.620  -0.815  -2.122  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -0.167  -1.882  -3.284  0.00  0.00    +0.109 C 
ENDBRANCH   2   7
BRANCH   1  14
ATOM     12  N   LIG    1       -2.949   0.147   1.588  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1       -2.471   0.801   2.193  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -2.215  -0.819   0.929  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -2.652  -1.474  -0.012  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.294   0.489   1.169  0.00  0.00    +0.104 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.697   1.856  -0.412  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -4.286   1.474   0.004  0.00  0.00    +0.015 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  C   LIG    1        2.614  -2.091   0.123  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        3.727  -1.359  -0.205  0.00  0.00    -0.261 N 
ATOM     21  H   LIG    1        4.375  -1.829  -0.820  0.00  0.00    +0.157 HD
ATOM     22  O   LIG    1        2.530  -3.276  -0.205  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.884  -0.013  -0.042  0.00  0.00    +0.167 A 
ATOM     24  S   LIG    1        5.263   0.622  -0.830  0.00  0.00    -0.028 S 
ATOM     25  C   LIG    1        4.822   2.167  -0.279  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1        3.678   2.110   0.481  0.00  0.00    +0.153 A 
ATOM     27  N   LIG    1        3.147   0.840   0.628  0.00  0.00    -0.231 NA
BRANCH  25  28
ATOM     28  N   LIG    1        5.585   3.331  -0.594  0.00  0.00    +0.065 N 
ATOM     29  O   LIG    1        5.163   4.402  -0.140  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        6.605   3.195  -1.281  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 7