REMARK  Name = BDB013643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.394  -0.877  -1.833  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -1.798  -1.473  -0.742  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -2.184  -2.816  -0.737  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.698  -3.660   0.297  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.842  -3.100   1.275  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.454  -1.754   1.258  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -2.053  -5.119   0.402  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.047  -3.008  -1.872  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -3.717  -4.264  -2.299  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -0.956  -0.927   0.239  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.147  -1.791  -2.517  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.461  -1.132   2.313  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        0.925  -2.057   3.449  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1        1.612  -0.420   1.700  0.00  0.00    -0.290 N 
ATOM     15  C   LIG    1        1.618   0.979   1.766  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1        0.666   1.631   2.216  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.850   1.734   1.212  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1        3.119   2.901   2.109  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1        2.200   3.297   2.337  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1        3.890   3.914   1.377  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        3.184   4.430   0.103  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1        2.164   3.528  -0.457  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1        1.298   3.659   0.073  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        2.567   2.119  -0.266  0.00  0.00    +0.109 C 
ENDBRANCH  15  17
BRANCH  14  25
ATOM     25  C   LIG    1        2.770  -1.188   1.292  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1        2.711  -2.471   0.503  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        3.216  -1.226  -0.150  0.00  0.00    +0.024 C 
ENDBRANCH  14  25
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1       -2.230   0.514  -2.230  0.00  0.00    +0.124 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.172   1.444  -1.469  0.00  0.00    +0.049 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.991   2.894  -1.898  0.00  0.00    +0.161 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -1.414   4.644  -1.998  0.00  0.00    +0.193 C 
ATOM     32  O   LIG    1       -1.651   3.294  -1.623  0.00  0.00    -0.383 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8