REMARK  Name = BDB022288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.706  -1.997   0.459  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.672  -1.567   0.093  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.627  -2.524  -0.298  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.909  -2.093  -0.678  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.257  -0.739  -0.644  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.342   0.222  -0.226  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.288  -3.910  -0.278  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -2.270  -4.911  -0.665  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.050  -4.347   0.160  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        0.281  -5.528   0.254  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.062  -0.210   0.149  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        0.945  -3.314   0.512  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.653  -1.014   0.719  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1        1.500  -0.144   0.202  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.104  -1.195   0.915  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1        3.385  -1.376   2.404  0.00  0.00    +0.036 C 
BRANCH  15  21
ATOM     17  C   LIG    1        6.003   3.319  -1.141  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        5.250   2.140  -0.632  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        5.877   0.997  -0.183  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        5.226  -0.074   0.314  0.00  0.00    -0.238 NA
ATOM     21  C   LIG    1        3.882   0.014   0.375  0.00  0.00    +0.149 A 
ATOM     22  N   LIG    1        3.168   1.095  -0.029  0.00  0.00    -0.238 NA
ATOM     23  C   LIG    1        3.876   2.133  -0.516  0.00  0.00    +0.117 A 
ENDBRANCH  15  21
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -2.656   1.590  -0.113  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1       -1.836   2.189  -0.198  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.885   2.264   0.070  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1       -4.087   3.562  -0.436  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1       -5.335   4.146  -0.260  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1       -5.724   5.727  -0.826  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1       -6.375   3.553   0.366  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1       -6.163   2.313   0.844  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -4.960   1.640   0.717  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -3.042   4.261  -1.113  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1       -2.153   4.792  -1.638  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6