REMARK  Name = BDB034699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.054   1.913   1.082  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        1.226   1.145   1.053  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.931   1.395   2.230  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        3.134   0.782   2.496  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.629  -0.106   1.531  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.924  -0.379   0.334  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        1.192   2.306   2.992  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.556   2.789   4.293  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.698   0.268   0.096  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        0.005   2.628   2.302  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -0.890   3.369   2.677  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.432  -1.239  -0.664  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.695  -1.702  -1.193  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.753  -1.630  -0.982  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.030  -2.897  -1.530  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.356  -3.228  -1.778  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.841  -4.740  -2.446  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.406  -2.414  -1.528  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        7.123  -1.207  -1.006  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.837  -0.782  -0.718  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.979  -3.817  -1.825  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.084  -4.516  -2.064  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.003   1.896   0.101  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.973   0.739   0.333  0.00  0.00    +0.065 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.066   0.638  -0.740  0.00  0.00    +0.228 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.129   1.728  -0.515  0.00  0.00    +0.336 C 
ATOM     27  O   LIG    1       -5.220   1.561   0.014  0.00  0.00    -0.248 OA
BRANCH  26  29
ATOM     28  C   LIG    1       -4.600   4.001  -0.836  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -3.690   2.916  -1.028  0.00  0.00    -0.466 OA
ENDBRANCH  26  29
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1       -3.581  -0.694  -0.645  0.00  0.00    -0.365 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.452  -1.041  -1.721  0.00  0.00    +0.164 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.842  -2.487  -1.642  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -5.091  -3.166  -0.318  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -3.888  -3.544  -1.142  0.00  0.00    +0.006 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 11