REMARK  Name = BDB041225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.076  -1.832  -0.790  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -0.979  -0.492  -1.182  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -1.825   0.441  -0.697  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -2.795   0.033   0.140  0.00  0.00    +0.167 A 
ATOM      5  N   LIG    1       -2.975  -1.227   0.558  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.106  -2.135   0.075  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.693   1.049   0.642  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -5.036   0.904   0.943  0.00  0.00    +0.151 A 
ATOM      9  O   LIG    1       -5.518   2.106   1.376  0.00  0.00    -0.358 OA
ATOM     10  N   LIG    1       -4.521   3.055   1.351  0.00  0.00    -0.083 NA
ATOM     11  C   LIG    1       -3.431   2.424   0.905  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -2.161   3.172   0.756  0.00  0.00    +0.070 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.073  -0.175   0.897  0.00  0.00    +0.052 C 
ATOM     14  C   LIG    1       -5.927  -1.160   2.055  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -6.136  -0.882  -0.455  0.00  0.00    +0.015 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.275  -3.689  -0.321  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.201  -2.756  -1.288  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.038  -0.102  -2.088  0.00  0.00    -0.315 N 
ATOM     19  C   LIG    1       -0.342  -0.488  -3.451  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.510   1.287  -1.962  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.796   1.385  -1.114  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.926   0.476  -1.641  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.155  -0.721  -0.723  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1        3.537  -0.276   0.629  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        2.853   0.926   1.136  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        1.543   1.173   0.390  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        4.918  -0.291   0.902  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        5.801  -0.500  -0.100  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.121  -0.513   0.191  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        7.635  -0.330   1.460  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.736  -0.127   2.493  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.370  -0.111   2.212  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7