REMARK  Name = BDB040363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.732  -1.026  -0.215  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.633  -0.054  -0.441  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.347  -0.782  -0.903  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.082  -1.850   0.033  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.042  -2.798   0.214  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.330  -2.105   0.714  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.484   0.743   0.351  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.999  -0.043   1.338  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.780  -0.601   1.131  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.985  -0.426  -0.008  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.545   0.389  -1.002  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.796   0.985  -0.830  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       10.042   1.826  -0.366  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.676   1.391  -0.518  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.459   0.789  -1.301  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.833   1.353   0.585  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.161   1.773   1.690  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.268  -2.563  -0.469  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.523  -1.727  -0.431  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -2.943  -1.089   0.744  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.114  -0.344   0.726  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.838  -0.260  -0.457  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -6.068   0.522  -0.476  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -6.541   1.175   0.609  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -5.722   1.063   1.888  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1       -6.074   1.624   2.924  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1       -4.471  -0.867  -1.606  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -4.573   0.318   1.864  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1       -4.058   0.270   2.733  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -3.325  -1.587  -1.564  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.789   1.984   0.635  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -8.997   1.572  -0.168  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.215   2.793  -0.564  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5