REMARK  Name = BDB012409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.460   0.756   0.125  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1       -0.361   1.009  -0.591  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1        0.689   0.537   0.150  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.229   0.002   1.360  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -1.140   0.142   1.355  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.029   0.645  -0.369  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.182   1.228  -1.593  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.424   1.341  -2.103  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.557   0.899  -1.452  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.410   0.302  -0.200  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.124   0.174   0.347  0.00  0.00    +0.060 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.580  -0.179   0.521  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.550  -0.768   1.730  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.858  -1.002   1.913  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.216  -1.452   2.751  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        7.670  -0.607   0.927  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        6.860  -0.075   0.023  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  C   LIG    1       -3.410   2.324   0.368  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -2.810   1.154  -0.415  0.00  0.00    +0.066 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.636  -0.126  -0.447  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -3.397  -1.065  -1.468  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.125  -2.254  -1.540  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.108  -2.525  -0.592  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.361  -1.609   0.426  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.632  -0.419   0.499  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   4  26
ATOM     26  O   LIG    1        1.016  -0.527   2.294  0.00  0.00    -0.492 OA
ATOM     27  H   LIG    1        0.442  -0.842   3.017  0.00  0.00    +0.294 HD
ENDBRANCH   4  26
TORSDOF 5