REMARK  Name = BDB022147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.830  -0.176   0.714  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.814  -1.012   0.274  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.909  -2.371  -0.323  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        0.385  -0.332   0.491  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        0.153   0.898   1.050  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -1.165   0.955   1.214  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.734  -0.761   0.193  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        2.745   0.077   0.498  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        4.004  -0.329   0.228  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        4.292  -1.533  -0.395  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        5.661  -2.005  -0.757  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.189  -2.320  -0.656  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        1.920  -1.968  -0.380  0.00  0.00    -0.219 NA
BRANCH   9  14
ATOM     14  C   LIG    1        5.008   0.663   0.627  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1        6.272   0.253   1.713  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1        6.910   1.839   1.682  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        6.163   2.680   0.889  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.058   2.005   0.294  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  N   LIG    1       -4.089   0.350  -0.048  0.00  0.00    -0.290 N 
ATOM     20  C   LIG    1       -3.253  -0.464   0.723  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -3.677  -1.408   1.386  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.521   0.100   0.013  0.00  0.00    +0.135 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.577   0.814   2.176  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.140   1.102   0.943  0.00  0.00    -0.016 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
BRANCH  19  25
ATOM     25  C   LIG    1       -3.623   1.338  -1.017  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.307   0.644  -2.309  0.00  0.00    -0.016 C 
ATOM     27  C   LIG    1       -2.097   0.627  -2.884  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  20
TORSDOF 7