REMARK  Name = BDB036790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.716   0.471  -0.761  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -1.261   0.926   0.023  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.892   0.082  -1.796  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -1.305  -0.120  -2.932  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.429  -0.911   1.911  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.861  -0.388   0.957  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.639   0.965   0.929  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.910   1.434   1.783  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.606   1.559   0.253  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.032   2.541   0.726  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -3.101   0.856  -1.012  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -4.011  -0.314  -1.389  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.284  -1.194  -0.180  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        0.512  -0.055  -1.454  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        1.140   0.050  -0.227  0.00  0.00    +0.127 A 
ATOM     16  N   LIG    1        2.490  -0.172  -0.428  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.752  -0.419  -1.736  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1        1.566  -0.352  -2.340  0.00  0.00    +0.147 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.535  -0.165   0.539  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1        4.853  -0.420   0.129  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.895  -0.418   1.060  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.630  -0.162   2.403  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.324   0.093   2.819  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.276   0.092   1.893  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH   3  14
TORSDOF 3