REMARK  Name = BDB004720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.191   1.272  -1.109  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.011   1.112  -0.397  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -1.546  -0.175  -0.012  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.295  -1.324  -0.328  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -1.875  -2.546   0.067  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.745  -2.620   0.778  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.029  -1.596   1.125  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.486  -1.142  -1.059  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.343  -0.381   0.697  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.920   0.141  -1.442  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.374  -2.273  -1.476  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.427  -2.079  -2.075  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.989  -3.546  -1.180  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -4.599  -4.312  -1.426  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.144  -3.723  -0.644  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1       -3.044   3.647  -1.168  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.729   2.454  -1.529  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1        0.461   0.712   1.038  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1        0.589   1.373   0.279  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.750   0.468   1.698  0.00  0.00    +0.115 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.779  -0.232   0.809  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        2.901   0.025  -0.567  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.874  -0.621  -1.332  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.743  -1.531  -0.736  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.639  -1.798   0.627  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.666  -1.154   1.393  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1        2.302   1.851   2.176  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.398   2.877   1.113  0.00  0.00    -0.328 NA
ATOM     29  H   LIG    1        3.142   2.596   0.471  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1        2.721   3.747   1.536  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7