REMARK  Name = BDB041284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.337  -1.419   1.469  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.350  -0.327   0.761  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        1.691  -0.927   0.297  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        1.780  -2.265   1.034  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.737  -2.159   2.134  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.347  -0.946   2.418  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -6.613   0.875  -0.957  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -6.250  -0.521  -1.370  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -6.892  -1.135  -2.216  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -5.161  -1.089  -0.759  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -4.929  -2.030  -1.047  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.387  -0.425   0.199  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -4.712   0.876   0.575  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -4.019   1.589   1.488  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -2.953   0.969   2.047  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -2.542  -0.327   1.738  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.290  -1.038   0.789  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -5.864   1.521  -0.044  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -9.120   1.008  -1.059  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -7.800   1.506  -1.631  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1        2.742  -0.047   0.711  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.948  -0.138   0.081  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.880   0.844   0.413  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.134   0.925  -0.095  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.477  -0.044  -0.989  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.623  -1.067  -1.381  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.340  -1.112  -0.833  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.861   0.035  -1.559  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.619   1.075  -1.064  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.134   1.723  -0.447  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        9.921   1.395  -1.580  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.254  -0.765  -2.401  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6