REMARK  Name = BDB045503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.517   0.040  -0.842  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -3.254   0.196  -0.291  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -3.149  -0.718   0.763  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.947  -0.774   1.501  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.888   0.069   1.153  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -1.019   0.991   0.118  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -4.387  -1.415   0.835  0.00  0.00    +0.099 A 
ATOM      8  C   LIG    1       -2.200   1.065  -0.626  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.223  -0.922  -0.148  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   9  10
ATOM     10  N   LIG    1       -6.496  -1.250  -0.466  0.00  0.00    -0.343 N 
ATOM     11  H   LIG    1       -7.094  -0.638  -1.015  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -7.040  -1.849   0.157  0.00  0.00    +0.144 HD
ENDBRANCH   9  10
BRANCH   1  14
ATOM     13  C   LIG    1       -5.700   2.064  -1.619  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -4.998   0.774  -2.004  0.00  0.00    +0.120 C 
ENDBRANCH   1  14
BRANCH   7  15
ATOM     15  C   LIG    1       -4.725  -2.443   1.769  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -5.004  -3.274   2.530  0.00  0.00    -0.191 NA
ENDBRANCH   7  15
BRANCH   5  17
ATOM     17  O   LIG    1        0.249  -0.007   1.927  0.00  0.00    -0.456 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.449  -0.127   1.264  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        2.503   0.667   1.710  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.760   0.573   1.102  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.975  -0.329   0.057  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.914  -1.140  -0.367  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        1.656  -1.047   0.237  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.209  -0.487  -0.608  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        5.229  -1.188  -1.339  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        6.388   0.205  -0.379  0.00  0.00    +0.231 C 
ATOM     27  O   LIG    1        6.566   1.097   0.446  0.00  0.00    -0.274 OA
BRANCH  26  28
ATOM     28  C   LIG    1        7.518  -0.269  -1.308  0.00  0.00    +0.175 C 
BRANCH  28  29
ATOM     29  N   LIG    1        8.765   0.465  -1.044  0.00  0.00    -0.322 NA
ATOM     30  H   LIG    1        8.555   1.464  -1.116  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        8.984   0.351  -0.050  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8