REMARK  Name = BDB013379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.604   0.059   0.570  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.293  -0.963   0.931  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.653  -0.879   0.602  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.174   0.215  -0.099  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.622   0.246  -0.412  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.199   1.448  -1.124  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.730   1.499  -1.124  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.324   0.130  -1.415  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.870  -0.889  -0.369  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.401  -0.798  -0.052  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.835  -1.961   0.695  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.532  -2.909   1.045  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.283   1.223  -0.480  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.501  -1.924   0.978  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.143  -2.721   1.488  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.079   1.146  -0.154  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.590   1.340   1.488  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.118  -0.010   0.897  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.430  -1.055   1.911  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.679  -1.892   2.676  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.862  -0.363  -0.423  0.00  0.00    +0.081 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.370  -0.395  -0.330  0.00  0.00    +0.045 A 
ATOM     23  N   LIG    1        5.011   0.789  -0.480  0.00  0.00    -0.241 NA
ATOM     24  C   LIG    1        6.366   0.786  -0.396  0.00  0.00    +0.140 A 
ATOM     25  C   LIG    1        7.116  -0.357  -0.162  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        6.441  -1.564  -0.009  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.051  -1.587  -0.095  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.007   2.062  -0.560  0.00  0.00    +0.119 C 
ATOM     29  N   LIG    1        7.555   3.079  -0.689  0.00  0.00    -0.189 NA
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5