REMARK  Name = BDB042404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.311  -0.538   0.646  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.703   0.195  -0.019  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.915  -0.428  -0.341  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.139  -1.785  -0.054  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.113  -2.504   0.581  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.095  -1.891   0.927  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.549   0.404   1.629  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.327  -0.328   1.951  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.765  -1.012   0.765  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.632  -0.257   0.035  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.524   0.129   0.948  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        1.876   0.100   2.388  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        3.333   0.574   2.580  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -3.414  -2.432  -0.404  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -4.638  -1.883  -0.008  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.814  -2.530  -0.359  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -5.857  -3.674  -1.072  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -4.671  -4.191  -1.452  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -3.445  -3.619  -1.147  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   2  20
ATOM     20  N   LIG    1       -0.466   1.576  -0.249  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1        0.518   1.749  -0.021  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -0.825   2.345  -1.388  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1       -0.482   3.702  -1.368  0.00  0.00    +0.102 A 
ATOM     24  C   LIG    1       -0.768   4.366  -2.554  0.00  0.00    +0.155 A 
ATOM     25 CL   LIG    1       -0.340   6.024  -2.771  0.00  0.00    -0.060 Cl
ATOM     26  N   LIG    1       -1.412   3.845  -3.612  0.00  0.00    -0.222 NA
ATOM     27  C   LIG    1       -1.750   2.562  -3.476  0.00  0.00    +0.225 A 
ATOM     28  N   LIG    1       -1.489   1.784  -2.418  0.00  0.00    -0.219 NA
BRANCH  23  29
ATOM     29  N   LIG    1        0.289   4.257  -0.315  0.00  0.00    -0.353 N 
ATOM     30  H   LIG    1        0.217   5.272  -0.279  0.00  0.00    +0.143 HD
ATOM     31  H   LIG    1        0.056   3.821   0.577  0.00  0.00    +0.143 HD
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 5