REMARK  Name = BDB043013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.281   3.644   0.261  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.793   2.357   0.133  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.897   1.530  -0.071  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.750   0.132  -0.246  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.505  -0.374  -0.204  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.636   0.573   0.026  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        3.066   2.236  -0.051  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.481   1.867   0.177  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.680   3.497   0.136  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.853   5.561   1.817  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.494   4.900   0.485  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.670   5.889  -0.669  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.942   0.142   0.084  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.528   0.925   0.371  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.350  -1.130   0.655  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.861  -1.334   0.484  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.297  -1.412  -0.987  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.828  -1.625  -1.093  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.456  -2.298   0.059  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.694  -1.605   0.767  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.541  -3.276   0.639  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.308  -2.601   1.249  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -3.614  -2.491  -1.633  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -2.853  -2.104  -2.102  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.918  -0.607  -0.464  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.742  -0.009  -0.326  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.124  -1.982  -0.057  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.505  -2.428  -0.461  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        5.490  -2.687   0.496  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        6.744  -3.094   0.066  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1        7.079  -3.255  -1.231  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        6.119  -2.987  -2.142  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        4.837  -2.578  -1.812  0.00  0.00    +0.025 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8