REMARK  Name = BDB034717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -0.929  -0.245  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.626  -1.117  -0.037  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.505  -0.725  -1.027  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.907  -0.771  -1.076  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.337  -0.249  -2.319  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -3.170   0.125  -3.014  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.124   0.688  -4.331  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.491  -0.145  -2.705  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.053  -0.175  -2.224  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.713  -0.012  -2.485  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.189  -0.408  -1.486  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.638  -1.369   0.768  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.164  -1.480   1.660  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.022  -0.135   0.330  0.00  0.00    +0.254 A 
ATOM     15  N   LIG    1        2.702  -0.332   0.125  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.017  -1.108   0.984  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        2.657  -1.718   2.065  0.00  0.00    +0.102 A 
ATOM     18 CL   LIG    1        1.785  -2.717   3.175  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.013  -1.469   2.216  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1        4.811  -2.059   3.343  0.00  0.00    +0.067 C 
ATOM     21  N   LIG    1        4.702  -0.680   1.360  0.00  0.00    -0.214 NA
BRANCH  14  25
ATOM     22  C   LIG    1        4.652   2.688  -3.575  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        5.014   1.946  -2.344  0.00  0.00    +0.061 A 
ATOM     24  N   LIG    1        4.085   1.250  -1.686  0.00  0.00    -0.169 NA
ATOM     25  N   LIG    1        4.734   0.697  -0.615  0.00  0.00    -0.202 N 
ATOM     26  C   LIG    1        6.082   1.053  -0.617  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        7.072   0.621   0.403  0.00  0.00    +0.066 C 
ATOM     28  C   LIG    1        6.271   1.855  -1.722  0.00  0.00    +0.048 A 
ENDBRANCH  14  25
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1       -4.788  -1.327  -0.078  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.555  -0.266   0.722  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.834   0.301   1.962  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -4.641  -0.760   3.048  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -5.639   1.473   2.535  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -3.542   0.795   1.621  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -3.631   1.350   0.825  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7