REMARK  Name = BDB063250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.450  -0.257   0.179  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -0.732   0.231  -0.239  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.854  -0.348   0.254  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -1.784  -1.361   1.182  0.00  0.00    +0.181 A 
ATOM      5  N   LIG    1       -0.594  -1.828   1.587  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1        0.533  -1.268   1.066  0.00  0.00    -0.113 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.120   0.147  -0.180  0.00  0.00    -0.279 N 
ATOM      8  C   LIG    1       -4.346  -0.521  -0.192  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -5.268   0.447  -0.592  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -6.632   0.129  -0.682  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -7.047  -1.175  -0.403  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.116  -2.151  -0.059  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -4.653   1.629  -0.879  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -4.752  -1.849   0.042  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.366   1.426  -0.682  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -2.334   2.477  -0.892  0.00  0.00    +0.086 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1        1.570   0.360  -0.375  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        1.272   1.073  -1.024  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  C   LIG    1        5.767  -0.084  -0.030  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.918  -0.897   0.720  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.527  -0.769   0.622  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        2.948   0.176  -0.228  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.816   0.988  -0.977  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        5.209   0.863  -0.882  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.005   0.491  -0.585  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.101  -0.314   0.160  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4