REMARK  Name = BDB002550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.252   1.530   1.043  0.00  0.00    +0.158 C 
ATOM      2  N   LIG    1       -2.163   1.319  -0.076  0.00  0.00    -0.221 N 
ATOM      3  C   LIG    1       -2.170   2.147  -1.176  0.00  0.00    +0.249 A 
ATOM      4  N   LIG    1       -3.143   1.753  -1.968  0.00  0.00    -0.198 NA
ATOM      5  C   LIG    1       -3.735   0.733  -1.278  0.00  0.00    +0.247 A 
ATOM      6  N   LIG    1       -1.293   3.169  -1.329  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -0.275   3.235  -0.525  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        0.704   4.369  -0.705  0.00  0.00    +0.062 C 
ATOM      9  N   LIG    1       -3.185   0.448  -0.096  0.00  0.00    -0.156 NA
ATOM     10  C   LIG    1        0.036   2.204   0.547  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -0.451  -1.835   3.684  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -0.570  -0.541   4.186  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -0.842   0.529   3.324  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -1.008   0.326   1.942  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -0.879  -0.981   1.451  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.607  -2.046   2.314  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -0.009  -2.795   5.813  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -0.187  -2.961   4.412  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  C   LIG    1        1.120   1.240   0.082  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        0.834   0.551  -1.075  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        0.026   0.809  -1.638  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.154   1.143   0.740  0.00  0.00    -0.275 OA
BRANCH  20  23
ATOM     23  C   LIG    1        1.585  -0.480  -1.686  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        1.087  -0.974  -2.912  0.00  0.00    +0.141 A 
ATOM     25  C   LIG    1        1.764  -1.999  -3.576  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.927  -2.538  -3.023  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.414  -2.057  -1.809  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        2.744  -1.030  -1.139  0.00  0.00    +0.027 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -0.069  -0.372  -3.352  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -0.634  -0.856  -4.564  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH  10  19
TORSDOF 5