REMARK  Name = BDB008761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135   0.423   0.808  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.125  -0.329   0.351  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.991   0.300  -0.066  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.155   1.674  -0.055  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.103   2.465   0.412  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -1.060   1.814   0.847  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.212   3.930   0.448  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -0.727   4.742  -0.209  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -0.624   6.135  -0.173  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.420   6.739   0.522  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.362   5.952   1.180  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.259   4.559   1.143  0.00  0.00    +0.008 A 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  C   LIG    1       -2.566  -1.527   1.351  0.00  0.00    +0.235 C 
ATOM     14  N   LIG    1       -2.326  -0.166   1.257  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1       -3.046   0.464   1.577  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1       -1.751  -2.424   1.146  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.010  -1.849   1.839  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.087  -1.205   0.964  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -4.419  -4.040   0.773  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.196  -3.311   2.019  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.319  -3.666   2.417  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   3  22
ATOM     22  C   LIG    1        2.025  -0.563  -0.537  0.00  0.00    -0.041 C 
ATOM     23  C   LIG    1        2.890  -1.298  -0.930  0.00  0.00    -0.060 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.907  -2.192  -1.390  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.063  -1.691  -1.993  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        6.053  -2.568  -2.441  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.888  -3.944  -2.286  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.734  -4.446  -1.684  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.743  -3.570  -1.236  0.00  0.00    +0.017 A 
ENDBRANCH  23  24
ENDBRANCH   3  22
TORSDOF 6