REMARK  Name = BDB015049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.617   0.083   0.626  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.521  -0.510  -0.024  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.275   0.126  -0.093  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.115   1.374   0.504  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.190   1.981   1.156  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.430   1.341   1.215  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM      7  N   LIG    1        7.587  -0.344  -0.115  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        6.300  -0.649   0.267  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        6.404  -1.924   0.818  0.00  0.00    +0.089 A 
ATOM     10  C   LIG    1        5.257  -2.557   1.314  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        4.029  -1.885   1.242  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        3.921  -0.598   0.688  0.00  0.00    -0.016 A 
ATOM     13  N   LIG    1        7.698  -2.377   0.779  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        5.078   0.037   0.190  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        8.382  -1.409   0.215  0.00  0.00    +0.200 A 
BRANCH   7  17
ATOM     16  C   LIG    1        8.607   0.615  -2.152  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1        8.039   0.884  -0.758  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1        9.039   1.642   0.115  0.00  0.00    +0.030 C 
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   3  19
ATOM     19  O   LIG    1       -0.684  -0.588  -0.755  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.972   0.010  -0.964  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.891  -0.305   0.225  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.075  -1.723   0.349  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -2.184  -2.114   0.257  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.253   0.423   0.144  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.953   0.360  -1.158  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.134   1.248  -1.172  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.345   0.723  -0.430  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.507  -0.654  -0.193  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.654  -1.118   0.465  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.646  -0.224   0.865  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.499   1.139   0.615  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.421  -1.626  -0.589  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.356   1.610  -0.033  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.386  -0.999  -1.535  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8