REMARK  Name = BDB048852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.825   0.610   1.061  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        1.313   1.283   2.288  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.062   0.464   2.599  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.417  -0.127   1.254  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.886  -0.173   0.508  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        4.357  -1.327  -2.910  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        5.279  -0.359  -2.221  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        4.852   0.340  -1.078  0.00  0.00    +0.081 A 
ATOM      9  C   LIG    1        5.740   1.230  -0.465  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.268   1.946   0.729  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        3.988   1.660   1.129  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        3.681   2.162   1.947  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        3.174   0.774   0.476  0.00  0.00    +0.137 A 
ATOM     14  O   LIG    1        5.968   2.752   1.331  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        7.031   1.438  -0.961  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.447   0.744  -2.092  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        3.552   0.130  -0.581  0.00  0.00    -0.229 NA
ATOM     18  C   LIG    1        6.576  -0.149  -2.719  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   4  19
ATOM     19  N   LIG    1       -1.086  -1.427   1.409  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.242  -1.390   2.322  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.453  -0.642   1.757  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -3.876  -1.234   0.404  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -2.674  -1.332  -0.547  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -1.497  -2.038   0.131  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.037  -0.474  -0.212  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -4.918   0.873  -0.591  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.000   1.554  -1.155  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.211   0.894  -1.344  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -8.543   1.732  -2.038  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -7.349  -0.441  -0.975  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.267  -1.122  -0.411  0.00  0.00    +0.005 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3