REMARK  Name = BDB004051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.368   2.456  -0.866  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.468   1.711  -0.697  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.671   2.292  -0.826  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.789   3.635  -1.114  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.617   4.330  -1.265  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.404   3.767  -1.147  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.911   1.920  -0.734  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.586   2.654  -0.884  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -3.334  -0.828  -0.103  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -2.771   0.443  -0.306  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.402   0.618  -0.582  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -0.601  -0.525  -0.629  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -1.147  -1.795  -0.431  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.508  -1.947  -0.170  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     15  C   LIG    1       -6.937  -1.672   0.637  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -5.489  -2.013   0.388  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1       -4.719  -0.885   0.164  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1       -5.201   0.004   0.188  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -5.114  -3.179   0.376  0.00  0.00    -0.276 OA
ENDBRANCH   9  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1        3.862   1.550  -0.643  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        4.505   1.720  -1.414  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.998   0.216  -0.178  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        5.076  -0.583  -0.611  0.00  0.00    +0.062 A 
ATOM     24 CL   LIG    1        6.207   0.025  -1.774  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.256  -1.883  -0.132  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.369  -2.406   0.807  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.314  -1.624   1.270  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.138  -0.322   0.789  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5