REMARK  Name = BDB065370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.852   0.501   1.872  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.925   0.053   2.656  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -3.234   0.465   2.389  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.501   1.340   1.328  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.432   1.787   0.540  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.123   1.373   0.809  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        2.627  -0.289   2.202  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1        2.106  -1.043   3.184  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.794  -0.843   3.178  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        0.495   0.051   2.177  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        1.664   0.417   1.546  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.049  -0.304   1.946  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.553  -1.615   1.333  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.916  -1.985  -0.006  0.00  0.00    +0.122 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.295  -1.011  -1.093  0.00  0.00    +0.307 C 
ATOM     16  O   LIG    1        3.860   0.131  -1.162  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.205  -1.564  -1.937  0.00  0.00    -0.465 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.826   0.123  -2.557  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        5.654  -0.726  -3.012  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -4.915   1.776   1.019  0.00  0.00    +0.163 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -5.471   1.055  -0.112  0.00  0.00    -0.278 N 
ATOM     22  C   LIG    1       -5.470   1.613  -1.366  0.00  0.00    +0.353 A 
ATOM     23  O   LIG    1       -5.018   2.740  -1.564  0.00  0.00    -0.244 OA
ATOM     24  N   LIG    1       -5.998   0.884  -2.391  0.00  0.00    -0.159 NA
ATOM     25  C   LIG    1       -6.468  -0.291  -2.157  0.00  0.00    +0.218 A 
ATOM     26  N   LIG    1       -6.508  -0.858  -0.928  0.00  0.00    -0.205 NA
ATOM     27  C   LIG    1       -6.003  -0.180   0.037  0.00  0.00    +0.207 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -6.985  -1.015  -3.177  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1       -7.261  -0.444  -3.965  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -7.677  -1.688  -2.877  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10