REMARK  Name = BDB019794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.269  -0.915  -0.933  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -1.422  -0.618   0.021  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.021  -1.073  -1.388  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.318  -1.155  -2.574  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.091  -1.103  -0.355  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.381  -0.726  -0.733  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.390  -0.747   0.222  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1        3.164  -1.153   1.502  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1        1.912  -1.530   1.834  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        0.848  -1.524   0.951  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.811  -0.372  -0.162  0.00  0.00    +0.159 C 
BRANCH  11  12
ATOM     12  N   LIG    1        5.520   0.175   0.984  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        5.189  -0.273   1.840  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.861   0.305   0.993  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1        7.445   0.811  -0.125  0.00  0.00    -0.316 N 
ATOM     16  H   LIG    1        6.921   1.581  -0.523  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.814   1.130   0.228  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        8.992   0.334   1.524  0.00  0.00    +0.163 C 
ATOM     19  N   LIG    1        7.621   0.019   2.010  0.00  0.00    -0.255 NA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.392  -0.785  -1.851  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -2.752  -2.128  -2.495  0.00  0.00    +0.033 C 
BRANCH  20  24
ATOM     22  C   LIG    1       -5.319  -0.279   0.581  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -4.247  -0.863  -0.100  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -3.573  -0.174  -1.120  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -3.996   1.125  -1.433  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -5.068   1.720  -0.761  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.730   1.014   0.247  0.00  0.00    +0.091 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.000  -0.561   2.245  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.870  -1.075   1.550  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  26  30
ATOM     30  O   LIG    1       -5.362   2.989  -1.181  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -6.458   3.643  -0.554  0.00  0.00    +0.277 C 
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8