REMARK  Name = BDB029664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.225  -0.275  -1.893  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.158  -1.153  -0.690  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -1.169  -1.377   0.005  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1       -2.416  -0.769  -0.513  0.00  0.00    -0.322 N 
ATOM      5  C   LIG    1       -2.255   0.245  -1.569  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1       -0.499  -2.503  -0.736  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.102  -0.118  -2.533  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.658  -1.076   0.065  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -4.755  -0.203   0.215  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1       -5.956  -0.542   0.770  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1       -6.086  -1.815   1.222  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1       -5.076  -2.756   1.147  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.865  -2.375   0.570  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.408  -2.180   1.828  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.316  -1.144   1.881  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.043  -0.275   1.431  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.671  -1.332   2.323  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -7.633  -3.317   2.225  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
BRANCH   9  19
ATOM     19  C   LIG    1       -4.700   1.189  -0.143  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -4.643   2.310  -0.449  0.00  0.00    -0.189 NA
ENDBRANCH   9  19
ENDBRANCH   4   8
BRANCH   1  21
ATOM     21  C   LIG    1        0.805   1.046  -1.579  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        6.979   1.369   0.483  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        6.107   2.046   1.499  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        6.568   2.545   2.521  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        4.761   2.085   1.241  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        4.191   2.549   1.935  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.183   1.518   0.100  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        4.987   0.876  -0.840  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.514   0.304  -1.966  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.175   0.374  -2.155  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        2.283   0.989  -1.274  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        2.812   1.579  -0.120  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        6.426   0.812  -0.610  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        9.150   2.635   0.465  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.454   1.314   0.768  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6