REMARK  Name = BDB013387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038   0.276   0.665  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.979  -0.722   0.991  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.329  -0.587   0.642  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.794   0.532  -0.058  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        4.232   0.614  -0.406  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        4.734   1.798  -1.200  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        6.155   1.628  -1.745  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        7.074   1.012  -0.701  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1        6.553  -0.356  -0.264  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        5.068  -0.371  -0.009  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.559  -1.562   0.734  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        5.301  -2.476   1.082  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.864   1.523  -0.386  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        3.222  -1.596   1.008  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        2.905  -2.407   1.521  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.510   1.396  -0.036  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.256   1.412   0.950  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -1.456   0.091   1.039  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.573  -0.387   2.446  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1       -1.655  -0.778   3.537  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.042  -0.979   0.063  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.534  -1.227   0.137  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1       -4.405  -0.587  -0.760  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.790  -0.803  -0.701  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1       -6.303  -1.663   0.278  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.446  -2.308   1.168  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.069  -2.095   1.096  0.00  0.00    +0.004 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.717  -0.087  -1.650  0.00  0.00    +0.113 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -7.158   1.187  -1.095  0.00  0.00    -0.326 NA
ATOM     30  H   LIG    1       -6.339   1.744  -0.860  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -7.629   1.010  -0.209  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6