REMARK  Name = BDB022914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.723  -4.423  -1.369  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.037  -3.097  -1.485  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.470  -2.104  -0.507  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.702  -1.506  -0.763  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.350  -1.810  -1.769  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.396  -1.810   0.642  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.785  -1.449   0.168  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.330  -2.212  -0.845  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.599  -1.862  -1.227  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.275  -0.834  -0.682  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        3.667  -0.133   0.291  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1        2.432  -0.415   0.743  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.563  -3.373  -1.390  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.228  -0.437   0.204  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.767  -0.285   0.079  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.185   0.613  -1.113  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.424   1.870  -1.219  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.872   2.639  -2.381  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -1.987   1.606  -1.301  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.499   0.893  -0.040  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.381   0.111   1.423  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.822  -0.901   2.293  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.371  -0.589   3.539  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.482   0.740   3.938  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.044   1.754   3.091  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.495   1.443   1.845  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.286   0.952   0.914  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        3.635   1.310   1.602  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.492   1.523   0.737  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        6.493   1.185  -0.139  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        7.504   2.073   0.080  0.00  0.00    -0.273 N 
ATOM     32  C   LIG    1        8.774   2.125  -0.602  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        7.232   2.973   1.046  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1        6.002   2.633   1.444  0.00  0.00    +0.157 A 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4