REMARK  Name = BDB043224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312   0.811  -0.052  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.294   2.006  -0.113  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.426   2.187   0.587  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.921   1.177   1.390  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.236  -0.020   1.425  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.125  -0.195   0.703  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.068   3.424   0.525  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.540   3.448   0.425  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.023   4.380  -0.711  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.539   5.771  -0.590  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.704   6.484  -1.853  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.139   5.817  -0.110  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.361   4.485  -0.209  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.465   0.689  -0.828  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        1.620   1.556  -1.318  0.00  0.00    +0.155 HD
BRANCH  14  20
ATOM     16  C   LIG    1        4.055  -2.501  -1.817  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.894  -2.769  -1.089  0.00  0.00    +0.057 A 
ATOM     18 CL   LIG    1        2.435  -4.367  -0.610  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        2.026  -1.718  -0.760  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        2.280  -0.399  -1.163  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.447  -0.157  -1.903  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.323  -1.194  -2.238  0.00  0.00    +0.018 A 
BRANCH  16  23
ATOM     23  C   LIG    1        5.024  -3.541  -2.203  0.00  0.00    +0.340 C 
ATOM     24  O   LIG    1        5.430  -3.689  -3.343  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        6.423  -5.206  -1.363  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.447  -4.198  -1.097  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH  16  23
ENDBRANCH  14  20
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  N   LIG    1       -1.746  -1.061   2.239  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -1.982  -0.697   3.153  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -1.429  -2.376   2.163  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -1.058  -3.060   1.079  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -0.834  -4.304   1.518  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -0.493  -4.989   0.852  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -1.115  -4.475   2.844  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -0.962  -5.777   3.526  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -1.514  -3.234   3.289  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 7