REMARK  Name = BDB021921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.683   0.442   2.062  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -0.447   1.653   1.272  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1        1.052   1.890   1.092  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1        1.727   0.676   0.453  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1        1.395  -0.592   1.246  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.115  -0.746   1.419  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.170   0.887   0.366  0.00  0.00    -0.296 N 
ATOM      8  H   LIG    1        3.632   1.118   1.234  0.00  0.00    +0.151 HD
ATOM      9  C   LIG    1        3.936   0.143  -0.514  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1        5.269   0.468  -0.381  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        5.453   1.317   0.130  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.449  -0.665  -1.291  0.00  0.00    -0.253 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.368  -0.124  -1.033  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        7.621   0.478  -0.856  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        8.761  -0.056  -1.462  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        8.660  -1.200  -2.248  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.420  -1.809  -2.425  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.279  -1.275  -1.818  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.085   0.272   2.473  0.00  0.00    +0.119 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -4.349  -1.343  -0.153  0.00  0.00    +0.165 A 
ATOM     21  C   LIG    1       -5.012  -0.212  -0.655  0.00  0.00    +0.204 A 
ATOM     22  C   LIG    1       -4.713   1.078  -0.186  0.00  0.00    +0.165 A 
ATOM     23  C   LIG    1       -3.768   1.222   0.832  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -3.107   0.102   1.367  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -3.411  -1.177   0.868  0.00  0.00    +0.054 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.835  -3.650  -0.447  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.702  -2.551  -0.696  0.00  0.00    -0.491 OA
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  O   LIG    1       -5.915  -0.361  -1.686  0.00  0.00    -0.488 OA
ATOM     29  C   LIG    1       -7.224  -0.559  -1.155  0.00  0.00    +0.277 C 
ENDBRANCH  21  28
BRANCH  22  30
ATOM     30  O   LIG    1       -5.405   2.112  -0.763  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.969   3.432  -0.469  0.00  0.00    +0.277 C 
ENDBRANCH  22  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7