REMARK  Name = BDB047990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.746   0.399   0.060  0.00  0.00    +0.243 C 
ATOM      2  N   LIG    1        1.583   1.099  -0.631  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.942   0.989  -0.619  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        3.865   0.408   0.401  0.00  0.00    +0.293 A 
ATOM      5  O   LIG    1        3.489  -0.242   1.369  0.00  0.00    -0.264 OA
ATOM      6  N   LIG    1        5.190   0.628  -0.014  0.00  0.00    -0.245 N 
ATOM      7  N   LIG    1        5.135   1.264  -1.293  0.00  0.00    -0.286 N 
ATOM      8  C   LIG    1        6.035   2.417  -1.440  0.00  0.00    +0.170 C 
ATOM      9  C   LIG    1        3.772   1.453  -1.571  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        3.335   2.140  -2.827  0.00  0.00    +0.067 C 
BRANCH   6  11
ATOM     11  C   LIG    1        6.149  -0.459   0.212  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        7.620  -0.046   0.115  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        8.548  -1.157   0.615  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        8.004  -2.566   0.366  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        7.080  -2.614  -0.843  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        5.868  -1.692  -0.677  0.00  0.00    +0.027 C 
ENDBRANCH   6  11
ENDBRANCH   2   3
BRANCH   1  22
ATOM     17  C   LIG    1       -1.732  -0.820   1.797  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -1.801   0.074   0.611  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.941   0.577  -0.013  0.00  0.00    +0.167 A 
ATOM     20  O   LIG    1       -2.510   1.418  -1.008  0.00  0.00    -0.354 OA
ATOM     21  N   LIG    1       -1.144   1.437  -1.086  0.00  0.00    -0.073 NA
ATOM     22  C   LIG    1       -0.695   0.619  -0.123  0.00  0.00    +0.171 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.342   0.384   0.243  0.00  0.00    -0.006 C 
ATOM     24  C   LIG    1       -5.320   1.544   0.243  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -6.792   1.131   0.136  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -7.099  -0.040   1.079  0.00  0.00    -0.004 C 
ATOM     27  C   LIG    1       -6.216  -1.244   0.698  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -4.784  -0.878   0.425  0.00  0.00    -0.019 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.601  -0.427   1.157  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1       -9.414   0.643   1.895  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -9.250  -0.708  -0.202  0.00  0.00    +0.007 C 
ENDBRANCH  26  29
ENDBRANCH  19  23
ENDBRANCH   1  22
BRANCH   1  32
ATOM     32  O   LIG    1        1.040  -0.564   0.960  0.00  0.00    -0.491 OA
ATOM     33  H   LIG    1        1.990  -0.599   1.172  0.00  0.00    +0.294 HD
ENDBRANCH   1  32
TORSDOF 6