REMARK  Name = BDB031287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.777   1.607  -0.399  0.00  0.00    +0.116 A 
ATOM      2  N   LIG    1        0.514   1.366   0.071  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.944   2.542   0.680  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -0.120   3.426   0.530  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -0.019   4.734   1.031  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.166   5.131   1.658  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.236   4.246   1.775  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.151   2.938   1.282  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -1.161   2.841  -0.129  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        1.253   0.152  -0.001  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        1.310  -0.567  -1.204  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.039  -1.733  -1.191  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.700  -2.190  -0.052  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1        3.338  -3.381  -0.376  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        3.900  -3.960   0.226  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        3.083  -3.678  -1.723  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1        3.487  -4.646  -2.342  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        2.669  -1.504   1.137  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        2.276  -2.642  -2.216  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        1.934  -2.603  -3.162  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        1.934  -0.313   1.157  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  22
ATOM     22  C   LIG    1       -1.704   0.589  -0.989  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.350  -0.266   0.097  0.00  0.00    +0.103 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -4.938  -3.013   0.061  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1       -3.970  -2.018   0.448  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1       -4.024  -1.640   1.385  0.00  0.00    +0.148 HD
ATOM     27  C   LIG    1       -3.248  -1.327  -0.502  0.00  0.00    +0.213 C 
ATOM     28  O   LIG    1       -3.303  -1.567  -1.702  0.00  0.00    -0.276 OA
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4