REMARK  Name = BDB012531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.774   0.251   0.511  0.00  0.00    +0.053 A 
ATOM      2  N   LIG    1        1.865   0.165  -0.544  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        2.180  -0.011  -1.945  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        0.620   0.315  -0.027  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.770   0.299  -0.539  0.00  0.00    +0.159 C 
ATOM      6  N   LIG    1       -1.513   0.599   0.734  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.624   0.713   1.847  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -0.859   0.936   3.023  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.697   0.535   1.311  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        2.044   0.509   1.675  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.896   0.794   0.795  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.576   0.922   1.952  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.950   1.101   2.005  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.577   1.214   3.314  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.745   1.153   0.866  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.965   1.292   0.874  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.014   1.034  -0.433  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.841   1.116  -1.677  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.680   0.872  -0.431  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.129  -1.038  -1.170  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.276  -2.205  -0.400  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.591  -3.425  -1.004  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.755  -3.492  -2.384  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.140  -4.994  -3.129  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.607  -2.350  -3.167  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.292  -1.129  -2.564  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.910  -0.141   0.122  0.00  0.00    +0.318 A 
ATOM     28  N   LIG    1        6.445   0.993   0.673  0.00  0.00    -0.203 NA
ATOM     29  C   LIG    1        5.103   1.086   0.790  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1        4.220   0.109   0.373  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        4.821  -1.013  -0.162  0.00  0.00    +0.127 A 
ATOM     32  N   LIG    1        6.154  -1.160  -0.311  0.00  0.00    -0.203 NA
BRANCH  27  34
ATOM     33  C   LIG    1        9.038   0.752   0.475  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        8.265  -0.321  -0.047  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4