REMARK  Name = BDB043040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056  -2.504   2.675  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1       -0.906  -1.415   1.840  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        0.468  -1.154   1.751  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        0.950  -0.083   0.948  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.038   0.659   0.293  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.417   0.321   0.440  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        1.179  -2.049   2.506  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.840  -0.672   1.180  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        0.258  -2.841   3.049  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.796  -4.194   2.068  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -2.321  -3.169   3.086  0.00  0.00    +0.037 C 
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  N   LIG    1       -2.329   1.100  -0.243  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1       -1.997   2.011  -0.541  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.755   1.040   0.042  0.00  0.00    +0.109 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.553   1.769  -1.054  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.036   1.875  -0.653  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -6.786   0.539  -0.819  0.00  0.00    +0.112 C 
ATOM     18  N   LIG    1       -6.619  -0.055  -2.152  0.00  0.00    -0.314 NA
ATOM     19  H   LIG    1       -7.083   0.516  -2.855  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -5.209  -0.236  -2.494  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -4.428   1.077  -2.426  0.00  0.00    +0.023 C 
BRANCH  16  22
ATOM     22  O   LIG    1       -6.666   2.886  -1.450  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -6.740   2.545  -2.357  0.00  0.00    +0.210 HD
ENDBRANCH  16  22
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   4  24
ATOM     24  N   LIG    1        2.313   0.200   0.843  0.00  0.00    -0.323 N 
ATOM     25  H   LIG    1        2.581   0.826   0.084  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.416  -0.686   1.197  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.754  -0.221   0.690  0.00  0.00    +0.077 A 
ATOM     28  N   LIG    1        4.837   0.660  -0.376  0.00  0.00    -0.231 NA
ATOM     29  C   LIG    1        6.125   0.866  -0.567  0.00  0.00    +0.141 A 
ATOM     30  N   LIG    1        6.890   0.146   0.344  0.00  0.00    -0.306 N 
ATOM     31  C   LIG    1        8.279   0.173   0.378  0.00  0.00    +0.093 A 
ATOM     32  C   LIG    1        8.935   0.932  -0.513  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1        8.170   1.700  -1.484  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        6.815   1.684  -1.529  0.00  0.00    -0.008 A 
ATOM     35  C   LIG    1        6.082   2.503  -2.559  0.00  0.00    +0.047 C 
ATOM     36  C   LIG    1        6.016  -0.547   1.142  0.00  0.00    +0.117 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 8