REMARK  Name = BDB021952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.466   0.244   0.018  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.895  -0.110   0.070  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.729   0.750  -0.609  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.363   1.685  -0.742  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.274  -1.105   0.684  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -4.172  -1.718   0.916  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -3.604  -0.836   1.948  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.608   0.167   1.371  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.395  -0.589   0.811  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.802  -1.880   0.076  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.294  -1.913  -0.247  0.00  0.00    +0.086 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.736  -2.831   2.517  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.639  -2.997   1.470  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        3.105   0.593  -0.868  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        3.791   1.702  -1.374  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        5.155   1.618  -1.669  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        5.854   0.427  -1.469  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        5.171  -0.683  -0.975  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.803  -0.600  -0.680  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  O   LIG    1        7.180   0.479  -1.796  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1        7.938  -0.705  -1.584  0.00  0.00    +0.277 C 
ENDBRANCH  17  20
ENDBRANCH   3  14
BRANCH   1  22
ATOM     22  C   LIG    1       -1.007   1.054  -1.079  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.998   2.498  -0.715  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        0.189   3.160  -0.874  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -0.018   4.447  -0.495  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -1.323   4.629  -0.104  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -1.959   3.373  -0.250  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6