REMARK  Name = BDB000322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.963   0.093   0.323  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.622   0.033  -0.106  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.377  -0.653   0.608  0.00  0.00    +0.033 A 
ATOM      4  N   LIG    1        1.709  -0.693   0.188  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1        2.580  -1.691   0.820  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        2.402  -1.667   2.327  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.969  -2.041   2.660  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.019  -1.272   1.816  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.356  -1.230   2.248  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.318  -0.550   1.510  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.716   0.270  -1.477  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -2.959   0.840  -0.455  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.212   2.195  -0.223  0.00  0.00    +0.129 A 
ATOM     14  N   LIG    1       -4.109   2.904  -0.924  0.00  0.00    -0.199 NA
ATOM     15  C   LIG    1       -4.770   2.267  -1.887  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -4.630   0.975  -2.182  0.00  0.00    -0.219 NA
BRANCH  13  17
ATOM     17  N   LIG    1       -2.517   2.904   0.777  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.657   2.441   1.671  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -1.520   2.857   0.581  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -5.708   2.985  -2.599  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -6.420   2.360  -2.949  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -6.009   3.776  -2.047  0.00  0.00    +0.145 HD
ENDBRANCH  15  20
BRANCH  11  24
ATOM     23  C   LIG    1       -4.631  -2.044  -1.152  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.600  -1.184  -1.867  0.00  0.00    +0.053 C 
ENDBRANCH  11  24
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  C   LIG    1        2.124  -0.235  -1.145  0.00  0.00    +0.105 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.431   1.269  -1.153  0.00  0.00    +0.030 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.473   1.708  -0.124  0.00  0.00    +0.122 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.831   1.098  -0.366  0.00  0.00    +0.307 C 
ATOM     29  O   LIG    1        5.192   0.566  -1.407  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.608   1.251   0.743  0.00  0.00    -0.468 OA
ATOM     31  C   LIG    1        6.927   0.721   0.608  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 9