REMARK  Name = BDB003957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.427  -0.058  -0.590  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -2.215  -0.425   0.580  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -3.679  -0.257   0.105  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.578  -1.208   0.886  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -4.200  -1.851   1.862  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.848  -1.368   0.394  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -6.209  -2.272   0.686  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.845  -0.505   0.750  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -7.934  -0.967   1.095  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.568   0.976   0.836  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -5.557   1.511  -0.163  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.118   1.213   0.255  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.555  -0.700  -1.366  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.195  -0.168  -1.824  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.710   0.031  -0.868  0.00  0.00    +0.170 A 
ATOM     16  N   LIG    1        1.939   0.130  -1.966  0.00  0.00    -0.141 NA
ATOM     17  N   LIG    1        0.557   0.096  -1.845  0.00  0.00    -0.133 NA
ATOM     18  C   LIG    1       -0.055  -0.043  -0.648  0.00  0.00    +0.144 A 
ATOM     19  C   LIG    1        0.742  -0.138   0.487  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        2.136  -0.103   0.385  0.00  0.00    +0.040 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.182   0.079  -1.098  0.00  0.00    +0.360 C 
ATOM     22  O   LIG    1        4.705   0.196  -2.194  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.834  -0.028   0.089  0.00  0.00    -0.454 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.844   1.327  -0.359  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.285  -0.009   0.143  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.885  -1.202  -0.609  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.620  -0.151   1.636  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4