REMARK  Name = BDB035708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.725  -0.696  -0.575  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1       -0.446  -1.428  -0.346  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1       -0.631  -2.620  -0.187  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.554  -0.466  -0.310  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.037   0.807  -0.509  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.882   1.898  -0.513  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.251   1.690  -0.315  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.774   0.390  -0.117  0.00  0.00    -0.031 A 
ATOM      9 CL   LIG    1       -1.277   3.487  -0.749  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.902  -0.708  -0.111  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        0.438   0.730  -0.688  0.00  0.00    +0.151 C 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.455  -0.848  -1.027  0.00  0.00    -0.035 A 
ATOM     13  C   LIG    1        3.138  -0.360  -0.899  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.041  -1.219  -0.703  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.297  -2.593  -0.644  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.593  -3.096  -0.786  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.665  -2.231  -0.981  0.00  0.00    +0.004 A 
BRANCH  12  18
ATOM     18  C   LIG    1        5.605   0.134  -1.232  0.00  0.00    +0.087 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.873  -0.242  -0.506  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1        6.998  -0.332   0.860  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1        5.989  -0.110   1.861  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1        8.288  -0.690   1.103  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1        8.932  -0.806  -0.033  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1        8.046  -0.521  -1.043  0.00  0.00    -0.134 NA
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1        6.134  -0.718  -3.638  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.833   0.466  -2.724  0.00  0.00    +0.012 C 
ENDBRANCH  18  26
ENDBRANCH  12  18
ENDBRANCH   1  14
BRANCH   8  27
ATOM     27  C   LIG    1       -5.257   0.199   0.107  0.00  0.00    +0.117 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.636   0.719   1.420  0.00  0.00    -0.307 NA
ATOM     29  H   LIG    1       -5.139   0.191   2.138  0.00  0.00    +0.123 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -7.093   0.752   1.613  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -7.355   1.620   2.881  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -8.452   2.348   2.075  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -7.706   1.922   0.793  0.00  0.00    +0.022 C 
ATOM     34  C   LIG    1       -7.776  -0.603   1.598  0.00  0.00    +0.027 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7