REMARK  Name = BDB031592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.216  -0.223   0.376  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1       -1.111  -1.012   1.004  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.060   0.524   0.223  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1        1.106  -0.248   0.187  0.00  0.00    -0.240 N 
ATOM      5  C   LIG    1        2.384   0.350   0.438  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        3.556  -0.414   0.321  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        4.789   0.185   0.621  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.835   1.515   1.008  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.640   2.196   1.096  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        3.534  -1.862  -0.071  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1        2.269  -2.192  -0.837  0.00  0.00    +0.024 C 
ATOM     12  N   LIG    1        2.440   1.640   0.831  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        1.067  -1.691  -0.057  0.00  0.00    +0.117 C 
ATOM     14  O   LIG    1       -0.141   1.743   0.106  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -6.567   0.625  -0.205  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.362   0.624   0.028  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.827  -0.222   0.967  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.479  -0.877   1.377  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.498  -0.524   1.129  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.144  -1.513   1.771  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.502   0.453   0.498  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1       -3.039   0.914  -0.853  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.401   1.562  -0.663  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 1