REMARK  Name = BDB034749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.281   0.397  -2.042  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.707  -0.290  -1.322  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.303  -1.211  -2.183  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.317  -2.041  -1.764  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.733  -1.923  -0.431  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.137  -0.998   0.460  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.683  -1.100  -3.432  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.995  -1.888  -4.588  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.105  -0.164  -0.005  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.317  -0.106  -3.365  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -1.062   0.248  -4.264  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.576  -0.840   1.793  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.833  -0.530   2.417  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.814  -1.124   2.413  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        3.882  -1.513   3.765  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.128  -1.818   4.297  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        5.361  -2.306   5.933  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.288  -1.768   3.604  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.204  -1.393   2.315  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.011  -1.073   1.688  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        2.704  -1.591   4.568  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        1.715  -1.617   5.174  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.174   1.400  -1.513  0.00  0.00    +0.133 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.221   1.819   0.021  0.00  0.00    +0.070 C 
ATOM     25  C   LIG    1       -2.339   0.796  -0.723  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.343   0.060  -1.620  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -4.658   0.052  -0.843  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -4.458   0.977   0.359  0.00  0.00    +0.035 C 
BRANCH  24  30
ATOM     29  C   LIG    1       -3.441   3.351   2.064  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -2.541   2.418   1.262  0.00  0.00    +0.032 C 
ENDBRANCH  24  30
BRANCH  24  31
ATOM     31  O   LIG    1       -3.632   2.865  -0.860  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -2.917   3.518  -0.935  0.00  0.00    +0.210 HD
ENDBRANCH  24  31
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7