REMARK  Name = BDB014648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.451  -4.666  -1.176  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.320  -4.160  -0.065  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.832  -3.559   0.384  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1       -0.787  -3.016   1.239  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.925  -3.214  -0.511  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.739  -1.865  -1.242  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.870  -2.037  -2.373  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.837  -1.185  -2.841  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.176  -0.734  -0.348  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -1.912  -0.493   0.906  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.200   0.194   0.690  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -3.096   1.669   0.368  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -1.957   2.410   0.734  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -1.895   3.781   0.447  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -2.968   4.419  -0.173  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.106   3.694  -0.516  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -0.774   1.723   1.371  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.173   2.327  -0.245  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.105   0.303   1.855  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.445  -4.149   0.951  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.770  -3.816   0.272  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.749  -2.437  -0.299  0.00  0.00    +0.108 A 
ATOM     23  N   LIG    1        2.353  -2.187  -1.590  0.00  0.00    -0.348 N 
ATOM     24  H   LIG    1        2.002  -2.883  -2.240  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.411  -0.834  -1.789  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1        2.813  -0.303  -0.582  0.00  0.00    +0.089 A 
ATOM     27  N   LIG    1        3.022  -1.315   0.332  0.00  0.00    -0.233 NA
BRANCH  26  28
ATOM     28  C   LIG    1        2.957   1.108  -0.252  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.335   1.474   1.049  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        3.455   2.819   1.411  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.198   3.817   0.474  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.824   3.471  -0.823  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        2.705   2.125  -1.184  0.00  0.00    +0.010 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9