REMARK  Name = BDB039680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.559   0.997  -0.303  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.745   0.825   0.887  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1        0.288   1.346   0.887  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.601   2.167   2.156  0.00  0.00    +0.022 C 
ATOM      5  N   LIG    1       -0.089   2.258  -0.219  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        1.079   2.966  -0.761  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        2.095   1.825   2.009  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1        2.205   2.054  -1.265  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.178  -1.060  -0.846  0.00  0.00    +0.125 A 
ATOM     10  N   LIG    1        5.582  -1.106   0.374  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        4.415  -0.420   0.493  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        3.785   0.322  -0.518  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.450   0.320  -1.754  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.653  -0.370  -1.927  0.00  0.00    +0.035 A 
BRANCH   9  18
ATOM     15  C   LIG    1        9.032  -3.305   0.199  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.893  -2.430   0.166  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.254  -2.384   0.956  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.463  -1.817  -0.992  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        8.054  -1.875  -2.064  0.00  0.00    -0.269 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -0.788   1.496  -1.270  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.204   1.134  -0.890  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -2.669  -0.183  -0.983  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -3.989  -0.457  -0.642  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.808   0.588  -0.229  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.191   0.300   0.126  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -6.705  -0.947   0.085  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.799  -2.065  -0.393  0.00  0.00    +0.253 A 
ATOM     28  O   LIG    1       -6.205  -3.220  -0.498  0.00  0.00    -0.268 OA
ATOM     29  N   LIG    1       -4.398   1.870  -0.137  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.503  -1.753  -0.714  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -3.928  -2.525  -1.023  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.107   2.111  -0.467  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.112  -1.248   0.432  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -8.733  -0.675   1.684  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.396  -2.135   1.620  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5