REMARK  Name = BDB051707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.213  -0.480  -2.076  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -2.797   0.159  -1.056  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -4.074  -0.169  -0.810  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -4.757   0.516   0.271  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -4.277   1.377   1.211  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -2.920   1.837   1.384  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -5.231   1.818   2.057  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -6.375   1.252   1.627  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -6.117   0.417   0.504  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -6.999  -0.370  -0.407  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.209  -1.484  -1.143  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -4.800  -1.107  -1.526  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -4.096  -1.717  -2.532  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -2.815  -1.419  -2.822  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -7.655   1.535   2.296  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.966   2.614   2.792  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -8.519   0.472   2.390  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -9.294   0.635   3.021  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.139  -0.462   2.365  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -0.901  -0.210  -2.416  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -0.580  -0.973  -3.003  0.00  0.00    +0.149 HD
BRANCH  20  31
ATOM     22  C   LIG    1        8.123   0.804   1.459  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        7.191  -0.317   1.553  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        7.183  -1.132   0.315  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        6.454  -0.472  -0.875  0.00  0.00    +0.124 C 
ATOM     26  N   LIG    1        5.098  -0.054  -0.517  0.00  0.00    -0.283 N 
ATOM     27  C   LIG    1        4.088  -0.992  -0.702  0.00  0.00    +0.305 C 
ATOM     28  N   LIG    1        2.784  -0.509  -0.650  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1        2.437   0.848  -1.084  0.00  0.00    +0.111 C 
ATOM     30  C   LIG    1        1.251   0.840  -2.040  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1        0.005   0.242  -1.367  0.00  0.00    +0.076 C 
ATOM     32  C   LIG    1        0.356  -0.891  -0.386  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        1.716  -1.504  -0.690  0.00  0.00    +0.111 C 
ATOM     34  O   LIG    1        4.330  -2.179  -0.923  0.00  0.00    -0.252 OA
ATOM     35  C   LIG    1        5.068   0.797   0.678  0.00  0.00    +0.124 C 
ATOM     36  C   LIG    1        5.816   0.133   1.859  0.00  0.00    +0.103 C 
ENDBRANCH  20  31
ENDBRANCH   1  20
TORSDOF 3