REMARK  Name = BDB062379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.742   0.992  -0.193  0.00  0.00    -0.347 N 
ATOM      2  C   LIG    1        1.853  -0.057  -0.072  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        2.477  -1.182  -0.616  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        1.791  -2.411  -0.615  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.501  -2.482  -0.076  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.128  -1.349   0.452  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1        3.759  -0.776  -1.074  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.558  -0.119   0.470  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        3.892   0.566  -0.810  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.507   2.361   0.240  0.00  0.00    +0.124 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.654   2.559   1.750  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.066   2.295   2.261  0.00  0.00    +0.161 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.315   2.956   2.026  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        4.974   3.180   1.606  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1       -1.518  -1.429   1.053  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.495  -2.143   0.222  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1       -3.000  -1.660  -0.991  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -3.701  -2.374  -1.718  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.645  -0.215  -1.415  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.085   0.735  -0.425  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -3.846   1.818  -0.975  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -3.145   2.413  -2.204  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -2.974   1.446  -3.303  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -2.025   1.524  -3.668  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.211   0.067  -2.831  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -2.857  -3.487   0.631  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -3.274  -3.834   2.039  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -4.293  -3.834   0.944  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 8