REMARK  Name = BDB043017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.085   3.667   0.081  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.207   2.297   0.218  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.083   1.772   0.149  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.319   0.381   0.256  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.252  -0.418   0.427  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.113   0.212   0.490  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.015   2.752  -0.051  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.305   1.504   0.391  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.302   3.877  -0.079  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.283   5.431  -1.235  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -1.185   4.685   0.097  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -1.024   5.673   1.254  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.191  -0.627   0.659  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.052  -1.610   0.410  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.556  -0.191   0.427  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.541  -1.349   0.657  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.393  -2.478  -0.378  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.407  -3.609  -0.085  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.694  -3.169   0.459  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.434  -3.807   0.167  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -7.011  -1.800   0.084  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.992  -0.821   0.672  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -3.060  -3.003  -0.361  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -3.039  -3.753  -0.983  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        2.650  -0.046   0.182  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.247   0.729  -0.126  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.088  -1.334  -0.343  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.569  -1.573  -0.330  0.00  0.00    +0.077 A 
ATOM     29  N   LIG    1        5.178  -2.320  -1.318  0.00  0.00    -0.231 NA
ATOM     30  C   LIG    1        6.459  -2.331  -1.014  0.00  0.00    +0.138 A 
ATOM     31  N   LIG    1        6.711  -1.615   0.151  0.00  0.00    -0.306 N 
ATOM     32  C   LIG    1        7.981  -1.462   0.703  0.00  0.00    +0.092 A 
ATOM     33  C   LIG    1        9.033  -2.032   0.090  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1        8.810  -2.790  -1.132  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        7.577  -2.932  -1.659  0.00  0.00    +0.047 A 
ATOM     36  C   LIG    1        5.506  -1.135   0.588  0.00  0.00    +0.117 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8