REMARK  Name = BDB003983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.093   2.330  -2.184  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.021   1.534  -1.434  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.682   0.439  -0.630  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.856  -0.051  -0.049  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.831  -1.125   0.816  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.588  -1.714   1.080  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.407  -1.222   0.483  0.00  0.00    +0.027 A 
ATOM      8  N   LIG    1       -4.923   0.743  -0.506  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -1.447  -0.127  -0.385  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -4.410   1.746  -1.359  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -5.054   2.614  -1.927  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -6.331   0.625  -0.165  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -6.601   0.849   1.333  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -5.724   1.141   2.149  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.904   0.807   1.787  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.958   1.171   2.731  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -9.086   0.971   1.106  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1      -10.001   1.612   1.621  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -9.218   0.389  -0.284  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -8.417  -0.893  -0.458  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.933  -0.662  -0.743  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1       -0.154  -1.846   0.776  0.00  0.00    -0.066 C 
ATOM     23  C   LIG    1        0.906  -2.357   1.015  0.00  0.00    -0.097 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.212  -2.966   1.303  0.00  0.00    +0.089 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.245  -2.665   0.215  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.575  -1.180   0.011  0.00  0.00    +0.001 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.186  -0.514   1.248  0.00  0.00    +0.011 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.548   0.949   1.000  0.00  0.00    +0.120 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.672   1.108   0.006  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1        5.529   1.602  -1.103  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.830   0.628   0.529  0.00  0.00    -0.459 OA
BRANCH  31  32
ATOM     32  C   LIG    1        8.056   0.644  -0.246  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        7.929  -0.226  -1.502  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        8.486   2.076  -0.581  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        9.111   0.019   0.680  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  22
TORSDOF 10