REMARK  Name = BDB002030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056  -1.532  -0.789  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        2.503   0.395   0.080  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        2.183  -1.031   0.248  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        0.774  -1.222   0.859  0.00  0.00    +0.104 C 
ATOM      5  N   LIG    1       -0.355  -0.583   0.129  0.00  0.00    -0.291 NA
ATOM      6  C   LIG    1        0.138   0.618  -0.600  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        1.361   1.317   0.040  0.00  0.00    +0.120 C 
BRANCH   2  11
ATOM      8  C   LIG    1        6.508   1.772   0.305  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        5.445   2.627   0.580  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.121   2.172   0.506  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.809   0.849   0.161  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.901   0.010  -0.117  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.230   0.457  -0.047  0.00  0.00    +0.047 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.861   1.497   0.141  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.747   2.337   0.411  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.667  -2.723  -0.057  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -2.344  -2.586   1.153  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1       -2.922  -3.606   1.829  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -2.831  -4.830   1.269  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -2.188  -5.080   0.069  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.600  -4.011  -0.602  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  C   LIG    1       -2.187  -0.859  -1.630  0.00  0.00    +0.128 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.116  -0.083  -0.822  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.751   0.292   0.045  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -4.237   0.483  -1.384  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -4.547   0.340  -2.561  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.059   1.339  -0.488  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.803   2.378  -1.060  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -6.583   3.195  -0.245  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1       -7.487   4.483  -0.941  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -6.638   2.980   1.132  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -5.912   1.934   1.702  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.125   1.110   0.894  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7