REMARK  Name = BDB022996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.372  -4.113   0.781  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.363  -3.021   0.418  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.941  -1.675   0.200  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -1.781  -1.165   1.199  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.889  -1.731   2.292  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.007  -0.769  -0.483  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1        0.180  -1.113  -1.968  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1        1.364  -0.758   0.219  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        1.726  -1.790   1.076  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        2.968  -1.659   1.654  0.00  0.00    +0.120 A 
ATOM     11  N   LIG    1        3.802  -0.632   1.407  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1        3.371   0.316   0.567  0.00  0.00    +0.216 A 
ATOM     13  N   LIG    1        2.181   0.287  -0.046  0.00  0.00    -0.217 NA
ATOM     14  C   LIG    1        0.814  -2.939   1.408  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -2.588   0.120   0.978  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.148   0.340  -0.447  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -3.359   1.851  -0.739  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -3.787   2.589   0.454  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.211   3.948   0.132  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -2.783   2.583   1.525  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -1.862   1.356   1.514  0.00  0.00    +0.029 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.390  -0.514  -0.686  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.649  -0.150  -0.186  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.765  -0.959  -0.406  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.639  -2.147  -1.121  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.394  -2.529  -1.615  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.277  -1.721  -1.397  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH   4  15
BRANCH  12  28
ATOM     28  N   LIG    1        4.164   1.409   0.266  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.783   1.824  -0.577  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.610   1.217   0.305  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.296   2.593   0.291  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        6.725   2.968  -1.118  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.654   2.040  -1.679  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.508   0.690  -1.240  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        6.076   0.346  -0.870  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  12  28
TORSDOF 4