REMARK  Name = BDB015772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.762   0.200  -0.100  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.210   1.109  -0.221  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.471   0.652  -0.173  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.832  -0.623   0.015  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.831  -1.513   0.149  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.497  -1.137   0.102  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.220  -2.931   0.366  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.338  -3.194   1.072  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.770  -4.488   1.329  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.985  -4.669   2.107  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.081  -5.607   0.874  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.402  -6.774   1.082  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.864  -5.327   0.069  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.477  -4.066  -0.162  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.061   0.701  -0.158  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.956   1.709  -0.278  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.949   0.128  -1.177  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        2.547   0.645  -2.564  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.401   0.544  -0.869  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        4.491  -0.021   1.639  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        5.072  -0.257   0.255  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -2.532   1.535  -0.347  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.202   2.863  -0.511  0.00  0.00    +0.152 A 
ATOM     24  C   LIG    1       -1.786   3.355  -1.758  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1       -1.495   4.718  -1.898  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -1.631   5.580  -0.809  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.066   5.089   0.423  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -2.370   3.731   0.584  0.00  0.00    -0.007 A 
ATOM     29  C   LIG    1       -2.833   3.216   1.918  0.00  0.00    +0.047 C 
BRANCH  24  30
ATOM     30  C   LIG    1       -1.647   2.495  -2.898  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -1.521   1.818  -3.833  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8