REMARK  Name = BDB028509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.984   0.865   0.015  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.702  -0.391   0.529  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        5.538  -1.494  -0.413  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.186  -1.473  -1.142  0.00  0.00    +0.128 C 
ATOM      5  N   LIG    1        2.990  -1.276  -0.310  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1        1.834  -0.899  -0.979  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1        0.780  -0.570  -0.162  0.00  0.00    -0.297 N 
ATOM      8  H   LIG    1        1.071  -0.074   0.666  0.00  0.00    +0.150 HD
ATOM      9  O   LIG    1        1.746  -0.865  -2.203  0.00  0.00    -0.253 OA
ATOM     10  C   LIG    1        3.036  -1.663   1.104  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        3.683  -0.584   1.971  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        5.207  -0.598   1.884  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1        6.271   1.069  -1.159  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        6.180   3.155   0.457  0.00  0.00    +0.282 C 
ATOM     15  O   LIG    1        5.903   1.846   0.955  0.00  0.00    -0.454 OA
ENDBRANCH   1  15
BRANCH   7  16
ATOM     16  C   LIG    1       -0.470  -0.082  -0.745  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.274  -1.207  -1.417  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.552  -2.245  -0.464  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.689  -2.437  -0.052  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.579  -0.697  -2.072  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.439   0.176  -1.239  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.006  -0.569  -0.093  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.079   0.189   0.667  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.739   1.288   0.091  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.741   1.954   0.809  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.106   1.516   2.082  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.469   0.414   2.648  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.325   1.779  -1.270  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.463  -0.248   1.944  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.538   0.723  -2.055  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 6