REMARK  Name = BDB002402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.389  -1.010  -0.651  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.275  -1.662  -1.859  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1       -0.434  -1.139  -2.713  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.043  -1.501   0.394  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.399  -2.955  -1.970  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1       -0.073  -3.683  -3.222  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        1.918  -2.714  -2.009  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        2.464  -2.473  -0.753  0.00  0.00    -0.235 N 
ATOM      9  H   LIG    1        1.840  -2.206   0.012  0.00  0.00    +0.173 HD
ATOM     10  O   LIG    1        2.580  -2.665  -3.045  0.00  0.00    -0.272 OA
BRANCH   8  11
ATOM     11  N   LIG    1        3.788  -1.966  -0.728  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1        4.191  -2.046  -1.670  0.00  0.00    +0.170 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.852  -0.623  -0.274  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        3.275  -0.225   0.940  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.380   1.097   1.383  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.076   2.034   0.624  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.681   1.647  -0.568  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.580   0.324  -1.007  0.00  0.00    +0.024 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.043   0.390  -0.721  0.00  0.00    +0.161 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.093   0.026   0.602  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -1.813   0.532   0.507  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -1.307   0.478   1.391  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -3.749  -0.356  -0.362  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -3.639   0.024   2.044  0.00  0.00    +0.137 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.541  -0.339   2.975  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1       -2.928  -0.433   3.914  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -2.205  -1.273   2.726  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
BRANCH  24  29
ATOM     28  C   LIG    1       -4.938   1.464   3.707  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.210   1.409   2.371  0.00  0.00    +0.024 C 
ENDBRANCH  24  29
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  30
ATOM     30  C   LIG    1        0.018   1.506  -0.841  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -0.632   2.895  -0.793  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        0.841   1.392  -2.129  0.00  0.00    +0.009 C 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 10