REMARK  Name = BDB021631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.173  -0.205  -1.312  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        4.667  -0.087  -0.018  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        3.284  -0.149   0.246  0.00  0.00    +0.134 A 
ATOM      4  O   LIG    1        3.035  -0.001   1.580  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.692  -0.005   2.048  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.952  -1.252   1.595  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.264  -0.998   0.337  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.906  -0.430  -0.758  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.263  -0.012  -1.724  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.395  -0.343  -0.819  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.923  -0.452  -2.126  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        4.296  -0.386  -2.373  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        7.767  -0.074  -1.733  0.00  0.00    -0.082 C 
ATOM     14  C   LIG    1        6.582  -0.135  -1.544  0.00  0.00    -0.065 C 
BRANCH  13  15
ATOM     15  C   LIG    1        9.214   0.000  -1.962  0.00  0.00    +0.171 C 
BRANCH  15  17
ATOM     16  C   LIG    1        9.922   0.704   0.249  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        9.843   1.051  -1.163  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1        9.309   1.912  -1.274  0.00  0.00    +0.123 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1       -1.206  -0.973   0.361  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.760   0.366   0.876  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.620   0.418   2.310  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.454   0.025   2.644  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.246   0.600   0.522  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.143  -0.250   1.343  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.355   0.488   1.764  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.374   0.716   0.671  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.452  -0.152  -0.431  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.433   0.053  -1.411  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.344   1.101  -1.287  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.280   1.953  -0.187  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.449  -1.266  -0.595  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.304   1.760   0.790  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.574  -1.482   0.651  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 8