REMARK  Name = BDB008655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.827  -1.103   0.577  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1       -1.288  -2.376   0.606  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.090  -2.262   1.325  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        0.742  -3.304   1.573  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        0.333  -4.486   1.086  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -0.832  -4.696   0.368  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.089  -0.908   1.725  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.696  -3.626   0.089  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.954  -3.891  -0.683  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -1.012  -0.225   1.248  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.259  -0.370   2.506  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        0.878   0.614   3.615  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1        2.291   0.139   1.573  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1        2.055   1.317   0.844  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1        1.110   2.074   1.082  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.034   1.645  -0.307  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1        4.244   2.219   0.217  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1        4.796   3.252  -0.607  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        4.603   2.967  -2.102  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1        3.183   2.915  -2.493  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1        3.069   2.210  -3.221  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        2.336   2.574  -1.329  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1        3.334  -0.803   1.217  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        4.146  -1.532   2.264  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        4.797  -0.493   1.413  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1       -3.068  -0.675  -0.051  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.850  -0.216  -1.493  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.155   0.102  -2.220  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.878   1.327  -1.670  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.770   2.686  -2.029  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1       -6.050   1.536  -2.455  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9