REMARK  Name = BDB045671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.347  -1.084  -0.092  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.961  -0.779   0.023  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.884  -1.581  -0.535  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -1.544  -2.691  -1.207  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -0.239  -2.992  -1.292  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        0.754  -2.219  -0.748  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.213  -0.181   0.520  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.660   0.483   1.053  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        4.701   0.123  -0.031  0.00  0.00    +0.055 A 
ATOM     10  N   LIG    1        4.400   0.906   1.047  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        5.035   1.486   1.588  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        3.102   0.903   1.371  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        2.535   0.061   0.503  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        3.495  -0.432  -0.410  0.00  0.00    +0.069 A 
BRANCH   9  15
ATOM     15  C   LIG    1        6.067  -0.021  -0.595  0.00  0.00    +0.162 C 
BRANCH  15  18
ATOM     16  C   LIG    1        7.826  -0.664   1.641  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        7.882   0.699   0.996  0.00  0.00    +0.213 C 
ATOM     18  N   LIG    1        6.977   0.966  -0.024  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1        7.039   2.259  -0.694  0.00  0.00    +0.132 C 
ATOM     20  O   LIG    1        8.704   1.528   1.385  0.00  0.00    -0.276 OA
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1       -3.239  -1.229  -0.446  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1       -4.131  -2.366  -0.652  0.00  0.00    +0.132 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.544  -0.345   0.683  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.868   0.366   0.480  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -5.957   0.208   1.351  0.00  0.00    +0.073 A 
ATOM     26 CL   LIG    1       -5.960  -0.810   2.729  0.00  0.00    -0.081 Cl
ATOM     27  C   LIG    1       -7.164   0.898   1.125  0.00  0.00    +0.107 A 
ATOM     28  C   LIG    1       -7.245   1.742   0.018  0.00  0.00    +0.067 A 
ATOM     29  N   LIG    1       -8.515   2.258   0.069  0.00  0.00    -0.344 N 
ATOM     30  H   LIG    1       -8.917   2.912  -0.588  0.00  0.00    +0.167 HD
ATOM     31  C   LIG    1       -9.143   1.733   1.161  0.00  0.00    +0.197 A 
ATOM     32  C   LIG    1       -6.193   1.935  -0.877  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -8.360   0.911   1.819  0.00  0.00    -0.234 NA
ATOM     34  C   LIG    1       -5.008   1.232  -0.622  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7