REMARK  Name = BDB029704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.630   0.307  -0.793  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.624   0.015   0.246  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.115  -1.439   0.135  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -0.464  -1.785  -1.180  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1       -0.122  -0.801  -2.222  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        1.338  -0.292  -2.120  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.690   0.636   0.128  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.877   0.070   1.059  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.562  -0.020   0.726  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.987   0.406  -0.478  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.884   0.982  -1.390  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.244   1.101  -1.097  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.797   0.180   2.231  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.447   0.283   1.751  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.682  -0.154   2.260  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.143   0.740   0.486  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.969   1.186  -0.302  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.857  -2.262  -1.141  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.222  -3.019  -2.430  0.00  0.00    +0.029 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.893  -1.214  -0.766  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1       -3.343  -1.099   0.559  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.288  -0.132   0.882  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.768   0.699  -0.126  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.758   1.716   0.209  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.206   1.853   1.470  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -5.689   0.955   2.553  0.00  0.00    +0.252 A 
ATOM     27  O   LIG    1       -6.076   1.052   3.713  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -7.219   2.874   1.878  0.00  0.00    +0.049 C 
ATOM     29  N   LIG    1       -4.370   0.619  -1.411  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.758   0.014   2.192  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -4.424  -0.584   2.935  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.449  -0.332  -1.697  0.00  0.00    +0.116 A 
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 4