REMARK  Name = BDB008607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.362   0.256   0.903  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.464  -0.662   0.418  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        3.018  -1.910   0.711  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.295  -3.047   0.309  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        1.070  -2.935  -0.357  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        0.523  -1.677  -0.636  0.00  0.00    -0.024 A 
ATOM      7 CL   LIG    1        2.961  -4.580   0.664  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        4.241  -1.610   1.379  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        5.257  -2.544   1.925  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        1.235  -0.521  -0.249  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.436  -0.291   1.495  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.812  -1.492  -1.362  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -1.415  -2.739  -2.021  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -1.836  -0.789  -0.552  0.00  0.00    -0.290 N 
ATOM     15  C   LIG    1       -2.571   0.216  -1.198  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1       -2.437   0.428  -2.412  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.599   1.078  -0.431  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1       -3.042   1.651   0.815  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1       -2.254   2.255   0.597  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -4.058   2.396   1.572  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -5.532   1.970   1.361  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1       -5.685   0.572   0.957  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -6.669   0.345   0.828  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.950   0.328  -0.298  0.00  0.00    +0.109 C 
ENDBRANCH  15  17
BRANCH  14  25
ATOM     25  C   LIG    1       -1.933  -1.068   0.868  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -3.111  -1.804   1.456  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -1.757  -2.428   1.502  0.00  0.00    +0.024 C 
ENDBRANCH  14  25
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1        3.262   1.702   0.846  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.171   2.340  -0.202  0.00  0.00    +0.051 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.808   1.935  -1.629  0.00  0.00    +0.161 C 
BRANCH  30  32
ATOM     31  C   LIG    1        4.144   3.897  -2.933  0.00  0.00    +0.193 C 
ATOM     32  O   LIG    1        4.635   2.613  -2.574  0.00  0.00    -0.383 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8