REMARK  Name = BDB043210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.444   0.859   0.075  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.791  -0.289  -0.132  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.524  -0.244  -0.385  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.189   0.966  -0.449  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.469   2.112  -0.210  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.848   2.059   0.042  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.238  -1.437  -0.644  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.311  -1.689   0.344  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.112  -2.955  -0.044  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.257  -4.151  -0.199  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.049  -5.303  -0.624  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.189  -3.860  -1.183  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.355  -2.615  -0.801  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.806   0.891   0.342  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        3.128   1.844   0.453  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     16  C   LIG    1        5.137   0.372   0.736  0.00  0.00    +0.141 A 
ATOM     17  C   LIG    1        3.815  -0.074   0.487  0.00  0.00    +0.076 A 
ATOM     18  C   LIG    1        3.585  -1.451   0.395  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        4.628  -2.367   0.545  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.922  -1.918   0.789  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.179  -0.551   0.886  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.593   2.239   1.053  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.283   1.740   0.814  0.00  0.00    -0.493 OA
ENDBRANCH  16  23
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  N   LIG    1       -1.010   3.397  -0.233  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -0.252   4.068  -0.175  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.246   3.928  -0.223  0.00  0.00    +0.146 A 
ATOM     27  N   LIG    1       -2.447   5.231  -0.437  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -3.773   5.393  -0.341  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -4.154   6.322  -0.488  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -4.442   4.245  -0.028  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1       -5.908   4.204   0.157  0.00  0.00    +0.065 C 
ATOM     32  C   LIG    1       -3.467   3.275   0.065  0.00  0.00    +0.068 A 
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 6