REMARK  Name = BDB022048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.654  -0.830   0.013  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.001  -2.090  -0.572  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.505  -2.114  -0.293  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -1.836  -1.577   1.031  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -2.800  -0.570   1.174  0.00  0.00    +0.309 C 
ATOM      6  N   LIG    1       -3.923  -0.703   0.354  0.00  0.00    -0.249 N 
ATOM      7  C   LIG    1       -4.726   0.417  -0.050  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -6.001   0.199  -0.610  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -6.815   1.270  -0.988  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.354   2.577  -0.858  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.079   2.810  -0.350  0.00  0.00    +0.002 A 
ATOM     12  O   LIG    1       -6.552  -1.046  -0.816  0.00  0.00    -0.489 OA
ATOM     13  C   LIG    1       -5.565  -2.078  -0.840  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -4.270   1.739   0.045  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.646  -1.977   0.362  0.00  0.00    +0.156 C 
ATOM     16  O   LIG    1       -2.635   0.349   1.976  0.00  0.00    -0.252 OA
ATOM     17  C   LIG    1       -0.749  -1.609   1.998  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1        0.411  -0.730   1.533  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  21
ATOM     19  N   LIG    1        2.715   0.435   0.052  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        2.090   1.132   0.438  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.150  -0.782  -0.297  0.00  0.00    +0.220 C 
ATOM     22  O   LIG    1        2.732  -1.736  -0.800  0.00  0.00    -0.275 OA
BRANCH  19  26
ATOM     23  C   LIG    1        6.716   1.767  -0.268  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        5.709   2.585   0.244  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.393   2.122   0.340  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.062   0.828  -0.078  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.072   0.012  -0.589  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        6.391   0.478  -0.684  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        9.015   1.542  -0.823  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.956   2.340  -0.307  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3