REMARK  Name = BDB051734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.083   0.234   1.332  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.825  -0.203   0.452  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -2.055   0.317   0.568  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -3.070  -0.116  -0.374  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -3.043  -1.115  -1.300  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.970  -2.041  -1.578  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.189  -1.206  -2.008  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.976  -0.220  -1.538  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.309   0.486  -0.498  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.663   1.690   0.309  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.850   1.752   1.628  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -2.427   1.264   1.509  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.423   1.633   2.366  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.171   1.143   2.289  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.318   0.007  -2.095  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.622  -0.131  -3.277  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -7.284   0.358  -1.185  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -8.225   0.310  -1.553  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.156   0.086  -0.221  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        1.347  -0.318   1.210  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        1.409  -0.711   0.278  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.425   0.585   1.556  0.00  0.00    +0.139 C 
BRANCH  22  25
ATOM     23  C   LIG    1        5.668  -0.231  -0.300  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.457   0.369   0.058  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        3.741  -0.059   1.186  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1        4.253  -1.116   1.949  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.461  -1.718   1.597  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.168  -1.276   0.476  0.00  0.00    +0.045 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.486  -0.288  -1.831  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.254   0.292  -1.420  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5