REMARK  Name = BDB052399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.890  -2.514  -0.157  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.804  -1.400  -0.066  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.505  -0.072  -0.004  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.220   0.600   0.002  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.225   1.982  -0.076  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.500   2.763  -0.272  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.773   2.069   0.278  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.022   2.550  -0.059  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.159   1.834   0.049  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.056   0.495   0.127  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -0.118  -0.154   0.107  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.716   0.589   0.092  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.711  -0.429   0.074  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -4.133  -1.641  -0.039  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.172  -0.293   0.161  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.919  -1.075   0.743  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.705   0.780  -0.509  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.711   0.738  -0.606  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.188   1.166  -1.285  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.174  -0.321   0.249  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.881  -1.299   0.239  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.564  -0.125   0.173  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.452  -1.208   0.395  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        5.845  -1.022   0.326  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.375   0.242   0.076  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.518   1.321  -0.107  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.132   1.137  -0.057  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.912  -2.571   0.680  0.00  0.00    +0.243 C 
ATOM     29  O   LIG    1        2.794  -2.916   0.313  0.00  0.00    -0.270 OA
ATOM     30  N   LIG    1        4.693  -3.421   1.417  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1        4.245  -4.279   1.715  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        5.452  -3.079   1.989  0.00  0.00    +0.145 HD
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4