REMARK  Name = BDB021502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.590   1.020  -0.728  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        3.696   0.552  -1.688  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.498  -0.107  -1.343  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.811  -0.464  -2.466  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.831  -1.479  -2.346  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.344  -0.973  -1.541  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.170  -1.292  -0.134  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.936  -0.896   0.612  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.902  -1.029   1.840  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.166  -0.278   0.007  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        3.091   0.210   0.965  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.284   0.850   0.610  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.714   1.635  -1.214  0.00  0.00    -0.486 OA
BRANCH  13  17
ATOM     14  C   LIG    1        9.949   0.889  -0.591  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        8.856   1.623   0.039  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1        7.665   0.752   0.193  0.00  0.00    +0.130 C 
ATOM     17  C   LIG    1        6.794   1.937  -0.302  0.00  0.00    +0.201 C 
ATOM     18  C   LIG    1        8.110   2.413  -0.972  0.00  0.00    +0.130 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  C   LIG    1       -1.357  -1.800   0.584  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.203  -0.665   1.202  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.639  -0.230   2.450  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.673  -0.406   2.414  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.653  -1.119   1.484  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.404  -1.551   0.288  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.822  -0.419  -0.565  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.008   0.372  -0.056  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.918  -0.193   0.856  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.028   0.549   1.282  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.248   1.834   0.789  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.360   2.390  -0.129  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.665  -1.565   1.428  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.247   1.662  -0.553  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.596  -2.342   0.646  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 7