REMARK  Name = BDB044589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.021  -0.431  -1.139  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        0.887  -1.912  -1.186  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1        0.431  -2.314  -0.372  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        0.400  -0.688  -1.591  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1        1.058   0.129  -2.230  0.00  0.00    -0.276 OA
BRANCH   2   6
ATOM      6  C   LIG    1        2.312  -2.201  -1.294  0.00  0.00    +0.156 C 
ATOM      7  C   LIG    1        2.542  -3.688  -1.527  0.00  0.00    +0.038 C 
BRANCH   6  10
ATOM      8  N   LIG    1        4.361  -1.582  -0.087  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        4.770  -1.513  -1.011  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        2.997  -1.766   0.017  0.00  0.00    +0.233 C 
ATOM     11  O   LIG    1        2.379  -1.651   1.075  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1        5.149  -1.109   1.036  0.00  0.00    +0.104 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.067   0.413   1.171  0.00  0.00    +0.022 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.385   0.757   2.176  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        5.886   1.013   2.329  0.00  0.00    -0.016 C 
ATOM     16  C   LIG    1        5.397   0.532   3.695  0.00  0.00    +0.007 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   6  10
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.625   0.773  -1.869  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.975   1.980  -1.433  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.039   1.889  -1.709  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.152   0.915  -1.624  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.424   1.149  -0.200  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.043   2.012   0.171  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.668   0.120   0.683  0.00  0.00    +0.214 C 
ATOM     24  O   LIG    1       -3.820  -1.044   0.332  0.00  0.00    -0.276 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.756   0.590   2.125  0.00  0.00    +0.098 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.736  -0.560   3.144  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.163  -0.050   4.521  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -2.345  -1.196   3.237  0.00  0.00    +0.008 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  C   LIG    1       -3.786   2.077  -2.419  0.00  0.00    +0.028 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.651   2.008  -3.953  0.00  0.00    -0.015 C 
ATOM     31  C   LIG    1       -4.233   0.720  -4.536  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.342   3.220  -4.586  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  20  29
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 14