REMARK  Name = BDB018637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -1.517  -0.284  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -2.584  -1.218  -0.136  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -3.509  -2.177  -0.338  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -3.129  -3.455  -0.684  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.781  -3.680  -0.814  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.849  -2.736  -0.621  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -4.872  -1.820  -0.173  0.00  0.00    -0.232 N 
ATOM      8  C   LIG    1       -5.320  -0.457   0.189  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -4.685   0.110   1.488  0.00  0.00    +0.028 C 
ATOM     10  C   LIG    1       -3.931   1.423   1.274  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -4.814   2.462   0.597  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -5.479   1.958  -0.684  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -5.154   0.503  -1.019  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -6.832  -0.706   0.444  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -7.126  -1.894  -0.297  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1       -8.008  -2.389  -0.288  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1       -5.968  -2.627  -0.511  0.00  0.00    +0.308 C 
ATOM     18  O   LIG    1       -6.000  -3.778  -0.915  0.00  0.00    -0.252 OA
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -0.406  -0.471  -0.060  0.00  0.00    -0.268 N 
ATOM     20  H   LIG    1       -0.880   0.384   0.181  0.00  0.00    +0.156 HD
BRANCH  19  24
ATOM     21  C   LIG    1        3.741   0.191  -0.111  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        2.754   1.134   0.179  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1        1.410   0.917   0.196  0.00  0.00    -0.238 NA
ATOM     24  C   LIG    1        0.966  -0.322  -0.096  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        1.860  -1.335  -0.401  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        3.237  -1.075  -0.408  0.00  0.00    +0.028 A 
BRANCH  21  31
ATOM     27  C   LIG    1        8.827   2.169  -0.513  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1        8.040   1.036  -0.035  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1        7.095   1.432   1.030  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        5.631   1.659   0.582  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1        5.093   0.476  -0.110  0.00  0.00    -0.326 N 
ATOM     32  C   LIG    1        6.080  -0.416  -0.744  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1        7.342   0.376  -1.159  0.00  0.00    +0.103 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4