REMARK  Name = BDB032305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.384   1.042   0.459  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.069   0.747   0.214  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -0.814   0.024   1.134  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1       -2.123  -0.289   0.980  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -2.754   0.119  -0.140  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.068   0.831  -1.126  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -0.721   1.147  -0.949  0.00  0.00    +0.010 A 
BRANCH   5   8
ATOM      8  N   LIG    1       -4.114  -0.200  -0.333  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -4.958   1.007  -0.399  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -6.416   0.714  -0.360  0.00  0.00    +0.098 A 
ATOM     11  N   LIG    1       -6.859  -0.544  -0.049  0.00  0.00    -0.262 N 
ATOM     12  N   LIG    1       -8.200  -0.670  -0.029  0.00  0.00    -0.176 NA
ATOM     13  C   LIG    1       -8.628   0.559  -0.341  0.00  0.00    +0.180 A 
ATOM     14  C   LIG    1       -6.000  -1.684   0.206  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -7.560   1.447  -0.553  0.00  0.00    +0.159 A 
ATOM     16  C   LIG    1       -4.610  -1.211   0.625  0.00  0.00    +0.130 C 
BRANCH  15  17
ATOM     17  O   LIG    1       -7.631   2.746  -0.872  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -6.745   3.131  -0.967  0.00  0.00    +0.292 HD
ENDBRANCH  15  17
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.166  -0.165   0.236  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        1.832  -0.710  -0.557  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        7.819  -0.312   0.525  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        6.408  -0.235   0.472  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.705  -1.281  -0.166  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.289  -1.198  -0.230  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.561  -0.116   0.292  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.275   0.874   0.962  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.455  -2.352  -0.694  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        5.734  -3.700  -1.499  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        7.837  -2.331  -0.569  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        5.671   0.825   1.040  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        8.531  -1.337   0.024  0.00  0.00    -0.239 NA
BRANCH  21  32
ATOM     32  N   LIG    1        8.592   0.686   1.123  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.412   1.588   0.697  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.563   0.408   1.002  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 6