REMARK  Name = BDB032044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.565  -0.149  -0.176  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.275  -0.041   0.195  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.613  -0.303  -0.767  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        2.018  -0.268  -0.666  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        2.560  -0.600  -1.927  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1        1.465  -0.849  -2.780  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.537  -1.214  -4.165  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        3.734  -0.666  -2.249  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.295  -0.659  -2.054  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -1.023  -0.749  -2.358  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -1.965  -0.496  -1.424  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.702   0.106   0.569  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        3.592  -1.013   1.132  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        5.030  -1.029   0.611  0.00  0.00    +0.023 C 
ATOM     15  C   LIG    1        5.719   0.347   0.632  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        7.079   0.259  -0.076  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        4.842   1.405  -0.062  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1        3.411   1.464   0.471  0.00  0.00    +0.027 C 
BRANCH  15  19
ATOM     19  N   LIG    1        5.978   0.762   2.021  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1        5.119   0.778   2.565  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        6.588   0.082   2.474  0.00  0.00    +0.119 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  22
ATOM     22  N   LIG    1       -2.479   0.119   0.840  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -1.961   0.361   1.671  0.00  0.00    +0.155 HD
BRANCH  22  26
ATOM     24  C   LIG    1       -3.710   0.631   3.425  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -4.503   0.429   2.160  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -3.877   0.190   0.917  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.707   0.000  -0.196  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -6.112   0.058  -0.099  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.728   0.306   1.139  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -8.064   0.371   1.282  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -8.829   0.189   0.183  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -8.319  -0.061  -1.076  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.939  -0.127  -1.217  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -5.910   0.485   2.242  0.00  0.00    +0.033 A 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4