REMARK  Name = BDB003982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.722  -3.382  -0.344  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.176  -2.025  -0.383  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.595  -0.939  -1.072  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.438   0.170  -0.864  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.172   1.415  -1.402  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -1.027   1.545  -2.183  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.178   0.446  -2.397  0.00  0.00    +0.006 A 
ATOM      8  N   LIG    1       -3.517  -0.236  -0.063  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.437  -0.824  -1.837  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.358  -1.597   0.254  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -4.110  -2.272   0.940  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.595   0.604   0.432  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -4.366   0.834   1.941  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -3.245   0.904   2.449  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.466   1.062   2.741  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.209   1.102   3.721  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.540   1.883   2.501  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.117   2.417   3.447  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.908   2.212   1.075  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.116   1.003   0.175  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -5.971  -0.010   0.143  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1        0.566  -1.921  -2.074  0.00  0.00    +0.037 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.606  -2.057  -0.955  0.00  0.00    +0.005 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.645  -0.930  -0.954  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.707  -1.153   0.121  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.740  -0.050   0.127  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        4.816   0.844  -0.702  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.572  -0.228   1.190  0.00  0.00    -0.459 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.665   0.693   1.440  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        7.683   0.674   0.294  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.345   0.156   2.709  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.147   2.107   1.724  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 8