REMARK  Name = BDB022877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132  -2.711   1.529  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.550  -1.732   0.422  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.885  -0.407   0.974  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.164   0.083   1.215  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.339   1.053   1.958  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.232   0.366   1.536  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.551   0.184   0.815  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.685  -0.749  -0.198  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.929  -0.811  -0.782  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.972  -0.054  -0.398  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.757   0.815   0.597  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        2.585   0.953   1.227  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.535  -1.588  -0.660  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.359  -0.614   0.562  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.483   0.407   0.228  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.891  -0.245   0.284  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.845  -1.666  -0.083  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.187  -2.218  -0.259  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.072  -2.456   0.882  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.900  -1.691   1.506  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.175   1.097  -1.099  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.466   0.500  -2.335  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.145   1.144  -3.531  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.520   2.389  -3.509  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.213   2.990  -2.290  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.536   2.347  -1.093  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.774   1.643   1.048  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        4.470   1.971   1.959  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.118   1.089   1.004  0.00  0.00    +0.110 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.822   1.463  -0.310  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1        7.258   2.920  -0.318  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        8.553   2.973   0.305  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1        9.100   1.649   0.337  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1        8.160   0.762  -0.452  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5