REMARK  Name = BDB063201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.052   1.386  -1.357  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.560   0.543  -1.083  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.340   2.313  -2.088  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.696   3.484  -2.206  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.222   1.760  -0.576  0.00  0.00    +0.114 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -3.564  -2.285   3.428  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.189  -1.257   2.402  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.945  -1.632   1.078  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.629  -0.671   0.114  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.558   0.690   0.453  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1       -2.823   1.060   1.779  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.138   0.098   2.743  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   5  13
ATOM     13  C   LIG    1       -3.436   2.180  -1.414  0.00  0.00    +0.147 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.040   1.081  -2.237  0.00  0.00    +0.307 C 
ATOM     15  O   LIG    1       -5.129   0.561  -2.052  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.289   0.707  -3.290  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -3.845   0.042  -3.746  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.885   1.775  -2.811  0.00  0.00    +0.130 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.731   0.828  -1.992  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        2.419   1.290  -0.862  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.186   0.418  -0.074  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        3.873   0.958   1.157  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        4.951   0.025   1.706  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.429  -1.404   1.783  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.077  -1.919   0.389  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1        3.248  -0.944  -0.412  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        2.574  -1.401  -1.554  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        1.821  -0.525  -2.335  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7