REMARK  Name = BDB051622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851  -0.155   0.514  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -0.970  -1.015   1.179  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.413  -0.803   1.098  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.936   0.262   0.356  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.057   1.118  -0.304  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.327   0.913  -0.228  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.613   0.554  -0.245  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.352   0.071   0.169  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -5.272  -1.092   1.012  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.949  -1.329   1.252  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -3.263  -0.343   0.576  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -6.322  -1.855   1.508  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.567  -1.352   1.080  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.102   0.508  -0.082  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -7.711  -0.202   0.243  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -5.706   2.399  -1.528  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -4.774   2.093  -1.259  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.814   3.210  -2.119  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -6.817   1.732  -1.105  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -7.942   2.096  -1.426  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  N   LIG    1        2.333   0.401   0.329  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.893  -0.288   0.826  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.095   1.323  -0.366  0.00  0.00    +0.231 C 
ATOM     24  O   LIG    1        2.683   2.219  -1.096  0.00  0.00    -0.274 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.599   1.160  -0.087  0.00  0.00    +0.181 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.938  -0.250   0.244  0.00  0.00    -0.290 NA
ATOM     27  C   LIG    1        6.273  -0.334   0.882  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1        7.451  -0.113  -0.081  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1        7.399  -1.034  -1.175  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        6.167  -0.901  -1.894  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1        4.953  -1.109  -0.969  0.00  0.00    +0.113 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 5