REMARK  Name = BDB033398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.759  -2.538  -2.265  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.165  -3.275  -2.846  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.671   0.307   0.899  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.629  -0.458   0.126  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.352  -0.786   0.656  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.450  -1.496  -0.146  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.313  -1.710   0.603  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.501  -2.212   0.270  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.433  -1.123   1.831  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.746  -1.887  -1.457  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.997  -1.552  -1.972  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.685  -0.549   1.900  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.920  -0.856  -1.195  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.181   0.158   3.040  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -2.583   0.732   3.965  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.078  -1.501  -3.354  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.134  -2.306  -3.936  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.910  -0.872  -4.207  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        0.872  -0.207  -2.419  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.239  -0.643  -1.491  0.00  0.00    -0.045 S 
ATOM     21  C   LIG    1        2.260   0.931  -0.793  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        1.256   1.687  -1.374  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        0.459   1.041  -2.300  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.232   1.290   0.239  0.00  0.00    +0.079 A 
ATOM     25  N   LIG    1        3.626   0.276   1.048  0.00  0.00    -0.254 NA
ATOM     26  C   LIG    1        4.508   0.571   2.028  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        5.017   1.839   2.250  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.598   2.869   1.416  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.691   2.595   0.395  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5