REMARK  Name = BDB019600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.881   1.911   0.335  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.536   2.094   0.696  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.400   1.058   0.565  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.010  -0.192   0.086  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.343  -0.401  -0.293  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -2.263   0.654  -0.162  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.311   6.645  -0.472  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -3.566   5.280   0.095  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.739   5.084   0.738  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -4.964   3.857   1.250  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -4.073   2.802   1.146  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.861   3.001   0.477  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -2.614   4.274  -0.054  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.808   1.328   0.974  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.776   0.534   0.412  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1        2.578  -0.058  -0.386  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.064   2.240   1.752  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.187   0.778   0.661  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.083  -0.223  -0.039  0.00  0.00    +0.146 A 
ATOM     20  N   LIG    1        6.374  -0.287   0.347  0.00  0.00    -0.236 NA
ATOM     21  C   LIG    1        7.167  -1.171  -0.294  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        8.600  -1.248   0.136  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        6.700  -1.980  -1.310  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        5.372  -1.838  -1.639  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1        4.542  -0.972  -1.030  0.00  0.00    -0.239 NA
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -1.801  -1.746  -0.806  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.598  -2.404   0.208  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -2.179  -2.334   1.132  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.088  -3.648   0.032  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -3.618  -3.956  -1.180  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -4.176  -3.206  -1.570  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -4.322  -5.213  -1.020  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -3.733  -5.730   0.296  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -3.111  -4.554   0.965  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7