REMARK  Name = BDB043032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.284   0.156   0.138  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.071  -0.916  -0.761  0.00  0.00    -0.200 N 
ATOM      3  C   LIG    1       -0.172  -1.538  -0.864  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -0.039  -2.536  -1.810  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.311  -2.450  -2.215  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -1.244  -1.144  -0.117  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -1.076  -0.151   0.718  0.00  0.00    +0.124 A 
ATOM      8  N   LIG    1        1.991  -1.489  -1.591  0.00  0.00    -0.171 NA
ATOM      9  C   LIG    1        0.242   0.557   0.887  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.097  -3.487  -2.283  0.00  0.00    +0.018 C 
ATOM     11  C   LIG    1       -1.375  -3.326  -3.780  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -0.736  -4.938  -1.958  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   1  13
ATOM     13  N   LIG    1        2.565   0.719   0.166  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        3.206   0.139  -0.390  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.214   1.246   1.363  0.00  0.00    +0.160 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.601   1.779   1.159  0.00  0.00    +0.077 A 
ATOM     17  N   LIG    1        5.631   1.435   2.011  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1        6.696   2.054   1.545  0.00  0.00    +0.138 A 
ATOM     19  N   LIG    1        6.394   2.803   0.413  0.00  0.00    -0.306 N 
ATOM     20  C   LIG    1        7.331   3.564  -0.281  0.00  0.00    +0.092 A 
ATOM     21  C   LIG    1        8.605   3.584   0.150  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        8.962   2.808   1.330  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        8.047   2.075   1.995  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        5.057   2.628   0.168  0.00  0.00    +0.117 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  25
ATOM     25  N   LIG    1       -2.138   0.285   1.487  0.00  0.00    -0.329 N 
ATOM     26  H   LIG    1       -1.901   0.813   2.319  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.402  -0.432   1.567  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.300  -0.184   0.339  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -4.594   1.305   0.113  0.00  0.00    +0.133 C 
ATOM     30  C   LIG    1       -5.489   1.881   1.238  0.00  0.00    +0.112 C 
ATOM     31  N   LIG    1       -6.505   0.960   1.776  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -6.167   0.535   2.637  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.835  -0.095   0.820  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -5.624  -0.973   0.482  0.00  0.00    +0.023 C 
BRANCH  29  35
ATOM     35  O   LIG    1       -5.243   1.443  -1.160  0.00  0.00    -0.390 OA
ATOM     36  H   LIG    1       -5.469   2.382  -1.275  0.00  0.00    +0.210 HD
ENDBRANCH  29  35
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 8