REMARK  Name = BDB003790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   0.417  -0.480  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.308   0.122   0.415  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.548  -0.147  -0.033  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.855  -0.082  -1.372  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.822   0.234  -2.217  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.429   0.476  -1.798  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.906   0.661   0.070  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.844   0.558   1.072  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.742   1.664  -1.405  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.516   1.492  -0.038  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.236   1.161   0.423  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.156   0.992  -0.461  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.404   1.168  -1.826  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.681   1.500  -2.298  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.349   2.179  -3.123  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.076   2.015  -1.949  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.012   2.145  -0.991  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.824   2.374  -1.491  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.490  -0.437   0.952  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.087  -0.287   1.879  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.686  -1.180   1.002  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.591  -1.016   2.079  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1       -5.829  -1.684   2.083  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -6.178  -2.534   1.037  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.292  -2.723  -0.016  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.065  -2.051  -0.033  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.321  -0.149   3.255  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -5.162   0.307   4.009  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -3.009   0.055   3.487  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -3.008   0.607   4.299  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8