REMARK  Name = BDB014727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.751  -4.399  -1.504  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.849  -3.376  -1.351  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.493  -2.134  -0.837  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.083  -1.707  -0.722  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.958  -0.526   0.175  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.814   0.150   0.681  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.183   1.175   1.456  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.531   1.163   1.451  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.037   0.160   0.687  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.456  -0.188   0.438  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.528  -1.078  -0.819  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.005  -3.663  -1.664  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.447  -0.244   0.368  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1        0.517  -1.044  -0.252  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.726   0.246   0.764  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        2.916  -0.305   0.211  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1        4.188   0.184   0.587  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.275   1.221   1.524  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.120   1.771   2.070  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.865   1.291   1.690  0.00  0.00    +0.024 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.428  -0.351   0.054  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.753  -0.420  -1.284  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.006  -0.963  -1.342  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        7.769  -1.261  -2.529  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.536  -1.216  -0.132  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.576  -0.841   0.717  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
BRANCH  16  27
ATOM     27  C   LIG    1        2.807  -1.388  -0.726  0.00  0.00    +0.102 C 
ATOM     28  N   LIG    1        2.620  -2.252  -1.480  0.00  0.00    -0.191 NA
ENDBRANCH  16  27
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.256   2.155   2.236  0.00  0.00    +0.147 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.354   3.471   1.522  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.552   3.820   0.674  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -4.338   4.512   1.992  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 6