REMARK  Name = BDB021781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.990   0.614  -0.698  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.676  -0.530  -0.277  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.042  -0.374  -0.210  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        3.378   0.577  -0.133  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.087  -1.564   0.027  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.021  -1.359   0.063  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        5.336  -0.939   0.333  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1        5.745   0.745   0.356  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        6.350  -1.865   0.597  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        6.073  -3.236   0.580  0.00  0.00    -0.049 A 
ATOM     11  C   LIG    1        7.146  -4.235   0.897  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.766  -3.658   0.317  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.751  -2.729   0.052  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.231   0.200  -0.455  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.485  -0.842  -1.157  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.153  -0.275  -1.659  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.486   0.655  -0.631  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.045   0.429   0.779  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.568   0.616   0.792  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.675  -0.057  -0.264  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.404   0.176  -1.595  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.997  -1.449   0.331  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.047  -0.746   1.688  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.475  -1.702   0.653  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.630   1.695  -1.454  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.929   2.938  -0.645  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.022   2.935   0.755  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.339   4.103   1.453  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.575   5.288   0.761  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.495   5.308  -0.629  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.179   4.140  -1.327  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7