REMARK  Name = BDB014263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729  -0.191  -0.086  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1       -1.852   0.072  -0.839  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1       -1.867   0.452  -1.780  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.988  -0.252  -0.134  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -2.580  -0.743   1.098  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -3.447  -1.160   2.051  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.751  -1.067   1.718  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.247  -0.592   0.514  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -4.345  -0.163  -0.460  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -1.168  -0.707   1.123  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.753   0.362  -1.775  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -3.993   0.749  -2.645  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.087   0.379  -1.936  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -6.220   0.743  -2.837  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        0.655   0.080  -0.617  0.00  0.00    +0.220 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.053   1.555  -0.419  0.00  0.00    +0.051 C 
BRANCH  16  18
ATOM     17  C   LIG    1        1.685   3.424   1.152  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        1.250   1.970   1.044  0.00  0.00    +0.001 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  O   LIG    1        1.530  -0.801   0.087  0.00  0.00    -0.483 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.702  -1.197  -0.492  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.448  -2.093   0.280  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        4.671  -2.585  -0.178  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.160  -2.181  -1.417  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.424  -1.287  -2.193  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.198  -0.795  -1.732  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 7