REMARK  Name = BDB028442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -1.036  -1.485  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.718  -1.986  -2.383  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -3.010  -2.633  -2.415  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.802  -2.326  -3.310  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.274  -1.616  -2.972  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.042  -0.788  -1.855  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        0.945   0.114  -1.172  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.082  -0.398  -0.528  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.946   0.462   0.160  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.677   1.828   0.188  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.592   2.727   0.908  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.671   2.131   1.512  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.313   2.734   2.018  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.957   0.801   1.513  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.392   3.935   0.955  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.550   2.346  -0.462  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.154  -0.009   0.883  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.684   1.488  -1.140  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.467  -1.510   0.880  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.704  -1.789   1.621  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        6.431  -1.172   1.250  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        5.574  -1.443   2.575  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  27
ATOM     23  C   LIG    1       -3.697   0.649   1.625  0.00  0.00    +0.140 A 
ATOM     24  C   LIG    1       -2.645  -0.227   1.962  0.00  0.00    +0.100 A 
ATOM     25 CL   LIG    1       -2.355  -0.595   3.640  0.00  0.00    -0.078 Cl
ATOM     26  C   LIG    1       -1.836  -0.798   0.962  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1       -2.085  -0.492  -0.391  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.132   0.382  -0.716  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -3.931   0.945   0.281  0.00  0.00    +0.048 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -5.462   2.092   2.362  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.434   1.156   2.663  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  26  32
ATOM     32  C   LIG    1       -0.765  -1.688   1.316  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        0.115  -2.399   1.578  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH   1  27
TORSDOF 6