REMARK  Name = BDB003658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.038   0.601  -0.380  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.813   1.682  -0.521  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -2.133   1.538  -0.340  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.691   0.355  -0.041  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.914  -0.731   0.098  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.549  -0.635  -0.054  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.957   2.651  -0.496  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -4.298   2.552   0.084  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -4.255   2.873   1.580  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -3.588   4.227   1.836  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -2.222   4.319   1.152  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -2.321   3.959  -0.333  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -2.489  -1.978   0.441  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -3.892  -1.850   0.873  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -4.390  -3.193   1.406  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.214  -4.297   0.368  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -2.767  -4.355  -0.113  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.289  -2.990  -0.611  0.00  0.00    +0.106 C 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1        1.351   0.797  -0.556  0.00  0.00    -0.248 N 
ATOM     20  H   LIG    1        1.447   1.777  -0.840  0.00  0.00    +0.172 HD
BRANCH  19  23
ATOM     21  O   LIG    1        3.290  -1.794  -1.979  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        2.954  -0.917  -1.183  0.00  0.00    +0.229 C 
ATOM     23  N   LIG    1        1.908  -0.081  -1.498  0.00  0.00    -0.235 N 
ATOM     24  H   LIG    1        1.423  -0.212  -2.381  0.00  0.00    +0.173 HD
BRANCH  22  25
ATOM     25  C   LIG    1        3.596  -0.728   0.181  0.00  0.00    +0.102 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.932  -1.456   0.322  0.00  0.00    +0.044 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.073  -0.703  -0.322  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        6.727   0.324   0.374  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.771   1.031  -0.225  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.169   0.722  -1.524  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.522  -0.293  -2.226  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.479  -1.002  -1.628  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7