REMARK  Name = BDB036983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.947   1.692  -0.869  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.225   1.215  -1.140  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        4.052   0.254  -0.405  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        5.219   0.111  -1.101  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        5.255   0.942  -2.186  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        6.164   1.136  -2.971  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        3.726  -0.281   0.639  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        3.972   1.637  -2.228  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.498   2.564  -3.131  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.214   3.056  -2.908  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.450   2.617  -1.801  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        6.343  -0.725  -0.701  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.876  -2.169  -0.534  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        5.324  -2.796  -1.438  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.044  -2.735   0.705  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.705  -3.683   0.796  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.251  -2.087   1.895  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.137  -2.684   2.962  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.567  -0.612   1.832  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        7.144  -0.203   0.489  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.205   1.176   0.182  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        1.774   0.696   0.888  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.003   1.806   0.707  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.258   1.293   0.010  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -4.177   0.214   0.624  0.00  0.00    +0.404 C 
ATOM     26  N   LIG    1       -3.089  -0.375   0.000  0.00  0.00    -0.264 N 
ATOM     27  C   LIG    1       -1.731  -0.093   0.500  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -0.752  -1.223   0.118  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -1.415  -2.595   0.231  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -2.676  -2.703  -0.632  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -3.204  -1.344  -1.082  0.00  0.00    +0.111 C 
ATOM     32  O   LIG    1       -4.072   1.003   1.555  0.00  0.00    -0.226 OA
BRANCH  25  33
ATOM     33  O   LIG    1       -5.359  -0.183   0.087  0.00  0.00    -0.445 OA
BRANCH  33  35
ATOM     34  C   LIG    1       -6.833  -0.110   2.060  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -6.621   0.311   0.602  0.00  0.00    +0.107 C 
ATOM     36  C   LIG    1       -7.688  -0.375  -0.266  0.00  0.00    +0.055 C 
ATOM     37  C   LIG    1       -6.744   1.828   0.417  0.00  0.00    +0.055 C 
ENDBRANCH  33  35
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7