REMARK  Name = BDB015894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245   0.099  -0.119  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.857  -0.555  -0.529  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -2.050   0.055  -0.422  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.160   1.345   0.104  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.968   1.934   0.485  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.239   1.347   0.379  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.004  -0.579  -0.077  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.761   0.068   0.030  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.544  -0.595  -0.236  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.619  -1.948  -0.615  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.845  -2.607  -0.727  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.031  -1.924  -0.461  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.654   0.539   1.268  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.291   0.623   0.803  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.783   1.819   0.459  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.529   1.531   0.097  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.231   0.151   0.200  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.405  -0.406   0.666  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.420   2.044   0.274  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.623   3.386   0.021  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.938   3.632   0.300  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.629   4.894   0.191  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.610   2.543   0.710  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.684   1.581   0.706  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.206  -0.631  -0.851  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.692  -0.022  -1.509  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.026  -1.981  -1.405  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.018  -3.101  -0.343  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -1.702  -3.350   0.168  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1       -1.818  -3.634   1.095  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
BRANCH  28  31
ATOM     31  C   LIG    1       -3.984  -2.855   0.821  0.00  0.00    +0.188 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -3.954  -3.984   1.704  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -4.336  -4.739   1.226  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9