REMARK  Name = BDB053452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.484   0.554   0.138  0.00  0.00    +0.225 A 
ATOM      2  N   LIG    1       -0.241   1.430   1.117  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.334   1.880   1.749  0.00  0.00    +0.186 A 
ATOM      4  C   LIG    1       -2.611   1.478   1.428  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -3.427   2.154   2.287  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1       -4.435   2.093   2.323  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -2.625   2.928   3.083  0.00  0.00    +0.199 A 
ATOM      8  C   LIG    1       -2.799   0.575   0.418  0.00  0.00    +0.246 A 
ATOM      9  N   LIG    1       -1.353   2.781   2.781  0.00  0.00    -0.216 NA
ATOM     10  N   LIG    1       -1.710   0.112  -0.226  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.555  -0.009  -0.603  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1        0.165  -0.644  -1.284  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.742   0.449  -0.774  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.101  -0.519  -1.545  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.711  -0.645  -1.472  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.938   0.198  -0.650  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.609   1.172   0.100  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.000   1.312   0.032  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  N   LIG    1        6.995   0.186   0.209  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1        6.206   0.592  -0.869  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        6.657   1.058  -1.912  0.00  0.00    -0.270 OA
BRANCH  19  23
ATOM     22  C   LIG    1        6.467  -2.003   1.233  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        6.495  -0.492   1.408  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  19  24
ATOM     24  C   LIG    1        8.442   0.362   0.098  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        8.883   1.705   0.656  0.00  0.00    +0.024 C 
ENDBRANCH  19  24
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   8  26
ATOM     26  O   LIG    1       -4.068   0.158   0.087  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.092  -0.758  -1.011  0.00  0.00    +0.234 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.542  -1.169  -1.316  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1       -6.182  -1.898  -0.123  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -7.625  -2.302  -0.420  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -8.468  -1.104  -0.842  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -7.840  -0.362  -2.018  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -6.397   0.043  -1.721  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 8