REMARK  Name = BDB013374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.980  -1.308  -0.740  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.183  -1.774   0.322  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.095  -1.251   0.552  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.634  -0.248  -0.262  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.994   0.262   0.031  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -3.600   1.309  -0.876  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.099   1.534  -0.654  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -5.434   1.576   0.829  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.032   0.269   1.510  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -3.668  -0.219   1.097  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.083  -1.289   1.960  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.687  -1.751   2.923  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.840   0.232  -1.308  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -1.838  -1.739   1.630  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.470  -2.465   2.228  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.443  -0.285  -1.542  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.365  -3.416  -0.962  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.402  -1.864  -0.966  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.985  -1.482  -2.282  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        3.458  -1.192  -3.302  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.370  -1.402   0.169  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.566   0.096   0.314  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.569   0.760  -0.409  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.742   2.145  -0.282  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        3.910   2.873   0.572  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        2.913   2.222   1.298  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.745   0.842   1.172  0.00  0.00    +0.004 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.772   2.814  -1.021  0.00  0.00    +0.099 C 
ATOM     29  N   LIG    1        6.609   3.361  -1.611  0.00  0.00    -0.191 NA
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5