REMARK  Name = BDB022311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.766   0.236  -0.750  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        0.407   0.470  -0.492  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.461  -0.537  -0.013  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.889  -0.247   0.303  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.671  -1.296   0.593  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.188  -2.687   0.698  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.834  -2.902   0.514  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.331  -4.259   0.649  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.005  -3.567   0.966  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        0.043  -1.843   0.134  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.399  -2.085  -0.138  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.244  -1.059  -0.572  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.560   1.286  -1.252  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        2.079   2.179  -1.275  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        6.049   0.876  -0.404  0.00  0.00    +0.319 A 
ATOM     16  N   LIG    1        4.724   0.654  -0.428  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        3.964   1.484  -1.172  0.00  0.00    +0.148 A 
ATOM     18  C   LIG    1        4.538   2.525  -1.899  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        3.620   3.624  -2.853  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        5.906   2.658  -1.809  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        6.685   1.849  -1.067  0.00  0.00    -0.202 NA
BRANCH  15  23
ATOM     22  C   LIG    1        6.157  -0.914   1.092  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        6.869   0.065   0.349  0.00  0.00    -0.466 OA
ENDBRANCH  15  23
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  N   LIG    1       -2.299   1.087   0.284  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1       -1.563   1.701   0.625  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.617   1.659   0.566  0.00  0.00    +0.070 C 
ATOM     27  C   LIG    1       -3.949   1.551   2.051  0.00  0.00    +0.028 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.653   1.128  -0.393  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.878   0.339   0.015  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -6.027   1.758  -0.449  0.00  0.00    +0.005 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6