REMARK  Name = BDB012844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.571  -4.915  -1.649  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        2.584  -3.552  -1.026  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        1.431  -3.113  -0.471  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        1.411  -1.882   0.090  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.544  -1.071   0.126  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.732  -1.526  -0.452  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        3.747  -2.792  -1.036  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.124  -1.421   0.725  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.373  -0.070   0.208  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -1.792  -0.048   0.532  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -2.552   1.063   0.200  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -2.033   2.030  -0.356  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.270  -1.395   0.819  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.102  -2.307   0.460  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.955   1.047   0.525  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -4.519   0.519   1.651  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -4.047   0.076   2.431  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -5.854   0.635   1.709  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -6.166   1.335   0.611  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -5.010   1.631  -0.150  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -7.593   1.707   0.328  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -7.787   3.224   0.312  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -8.088   1.088  -0.981  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  C   LIG    1        4.932  -0.709  -0.443  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.959   0.670  -0.501  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.277   1.028  -0.492  0.00  0.00    -0.270 N 
ATOM     27  N   LIG    1        7.114  -0.017  -0.439  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.298  -1.074  -0.410  0.00  0.00    +0.142 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.814   2.375  -0.542  0.00  0.00    +0.158 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.093   2.940   0.842  0.00  0.00    +0.141 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.335   2.415   1.421  0.00  0.00    +0.064 C 
ATOM     32  N   LIG    1        9.328   2.057   1.904  0.00  0.00    -0.197 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   6  24
TORSDOF 7