REMARK  Name = BDB022251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315  -1.319   0.330  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.799  -0.366   0.590  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.104  -0.844   0.817  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.141   0.086   1.000  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.893   1.464   0.988  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.601   1.955   0.816  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -2.335  -2.255   0.884  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1       -1.297  -3.164   0.743  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -1.420  -4.385   0.827  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.572   1.028   0.630  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        0.045  -2.625   0.451  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.550  -0.804  -0.024  0.00  0.00    -0.334 N 
ATOM     13  H   LIG    1        1.549   0.135  -0.417  0.00  0.00    +0.147 HD
BRANCH  12  15
ATOM     14  C   LIG    1        2.652  -2.057  -1.831  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        2.781  -1.505  -0.413  0.00  0.00    +0.135 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.964  -0.528  -0.370  0.00  0.00    +0.149 A 
ATOM     17  N   LIG    1        5.177  -1.017  -0.038  0.00  0.00    -0.238 NA
ATOM     18  C   LIG    1        6.191  -0.132  -0.007  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        6.046   1.204  -0.300  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        4.777   1.604  -0.642  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1        3.723   0.768  -0.697  0.00  0.00    -0.238 NA
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -1.396   3.349   0.786  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -1.914   3.829   1.522  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -0.283   4.092   0.321  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        0.180   5.220   1.020  0.00  0.00    +0.099 A 
ATOM     26 CL   LIG    1       -0.638   5.740   2.455  0.00  0.00    -0.078 Cl
ATOM     27  C   LIG    1        1.303   5.878   0.525  0.00  0.00    +0.149 A 
ATOM     28 CL   LIG    1        1.993   7.264   1.282  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1        1.978   5.511  -0.591  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        1.502   4.440  -1.254  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        0.395   3.714  -0.845  0.00  0.00    +0.044 A 
ENDBRANCH  22  24
ENDBRANCH   6  22
BRANCH   7  32
ATOM     32  C   LIG    1       -3.669  -2.800   1.119  0.00  0.00    +0.129 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -4.451  -2.873  -0.164  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -4.312  -4.062  -1.082  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -5.584  -3.857  -0.306  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   7  32
TORSDOF 7