REMARK  Name = BDB021503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.015  -0.650  -0.502  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        3.385  -1.101   0.656  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.261  -0.447   1.202  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.847  -1.081   2.337  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.083  -0.330   3.261  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.298  -0.077   2.699  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.334   1.178   1.971  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.530   1.505   0.926  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.308   2.523   0.261  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.726   0.673   0.551  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.374   1.100  -0.639  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.501   0.453  -1.162  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.109  -1.373  -0.902  0.00  0.00    -0.486 OA
BRANCH  13  16
ATOM     14  N   LIG    1        8.131  -0.190  -1.813  0.00  0.00    -0.296 NA
ATOM     15  C   LIG    1        7.417  -1.483  -1.928  0.00  0.00    +0.130 C 
ATOM     16  C   LIG    1        6.059  -0.754  -1.799  0.00  0.00    +0.201 C 
ATOM     17  C   LIG    1        6.902   0.424  -1.259  0.00  0.00    +0.130 C 
BRANCH  14  19
ATOM     18  C   LIG    1        9.735  -0.221  -3.675  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        8.437   0.370  -3.137  0.00  0.00    +0.081 C 
ENDBRANCH  14  19
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  20
ATOM     20  C   LIG    1       -1.521   2.024   2.143  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.629   1.747   1.099  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.152   3.017   0.679  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.433   3.433   0.160  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.756   0.877   1.712  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.666   0.222   0.740  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.562  -0.706   1.470  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.676  -1.297   0.626  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.083  -0.679  -0.568  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.145  -1.215  -1.308  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.807  -2.357  -0.862  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.411  -2.976   0.320  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.331   0.516  -1.086  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.358  -2.443   1.069  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.474   1.199  -0.009  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 8