REMARK  Name = BDB021189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.532  -0.004   0.289  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.920  -1.175  -0.248  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.538  -1.224  -0.226  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.165  -2.410  -0.816  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.346  -3.032  -1.150  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.260  -0.196   0.318  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.316   0.868   0.805  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.427  -2.268  -0.788  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.693   0.939   0.770  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.216   1.893  -0.040  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.012   1.062   0.193  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        6.130  -0.162   0.713  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.863  -0.630   0.771  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.663  -1.941   1.348  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.930   0.274   0.311  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.664   1.385  -0.066  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.502  -4.303  -1.789  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.589  -5.342  -2.302  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.631  -0.349   0.314  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.985  -1.299   0.282  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.482   0.540   1.083  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.921   0.303   0.706  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -4.531   1.073  -0.286  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.001   2.219  -1.067  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.096   2.329  -2.127  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.307   1.726  -1.617  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.858   0.872  -0.644  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.640  -0.095  -0.051  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.050  -0.901   0.922  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -4.704  -0.711   1.291  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1       -4.046  -1.788   2.473  0.00  0.00    -0.083 Cl
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5