REMARK  Name = BDB001549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.777   0.229   0.477  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -0.788  -1.048   1.001  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        0.469  -1.603   0.824  0.00  0.00    +0.124 A 
ATOM      4  N   LIG    1        0.753  -2.856   1.263  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1       -0.268  -3.487   1.864  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.543  -2.890   2.040  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -2.542  -3.616   2.677  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.320  -4.912   3.144  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.073  -5.496   2.971  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.060  -4.778   2.334  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.278  -0.637   0.180  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -1.827  -1.648   1.618  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        0.470   0.480  -0.073  0.00  0.00    +0.123 A 
ENDROOT
BRANCH  13  14
ATOM     14  N   LIG    1        0.924   1.631  -0.715  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        1.928   1.644  -0.894  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        0.172   2.533  -1.450  0.00  0.00    +0.285 C 
ATOM     17  O   LIG    1       -1.032   2.418  -1.654  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  C   LIG    1        0.955   3.626  -2.012  0.00  0.00    +0.189 A 
ATOM     19  O   LIG    1        0.309   4.525  -2.824  0.00  0.00    -0.458 OA
ATOM     20  C   LIG    1        1.218   5.446  -3.228  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1        2.451   5.170  -2.691  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.286   4.002  -1.906  0.00  0.00    +0.054 A 
ENDBRANCH  16  18
ENDBRANCH  13  14
BRANCH  11  23
ATOM     23  C   LIG    1        2.682  -0.735  -0.193  0.00  0.00    +0.345 C 
ATOM     24  O   LIG    1        3.287   0.205  -0.704  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.239  -1.946   0.078  0.00  0.00    -0.461 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.621  -2.106  -0.268  0.00  0.00    +0.229 C 
ATOM     27  C   LIG    1        4.750  -2.541  -1.716  0.00  0.00    +0.048 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  11  23
BRANCH   1  28
ATOM     28  C   LIG    1       -1.873   1.155   0.743  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.123   0.875  -0.097  0.00  0.00    +0.021 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -4.001   3.267  -0.242  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -4.273   1.839   0.202  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8