REMARK  Name = BDB035136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.285   1.944   0.624  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.063   0.745  -0.175  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.486   0.769  -0.782  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.495   0.855   0.288  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        2.106   1.609   1.492  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.925   2.566   1.203  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.805   0.459   0.081  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.343   0.185  -1.180  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.616  -0.216  -1.438  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1        6.441  -0.370  -0.384  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        6.023  -0.135   0.917  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        4.703   0.277   1.138  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.787  -0.803  -0.741  0.00  0.00    +0.084 A 
ATOM     14  N   LIG    1        8.804  -1.027   0.151  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        8.783  -0.932   1.159  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        9.960  -1.421  -0.411  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1        9.676  -1.451  -1.714  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        8.348  -1.079  -1.976  0.00  0.00    +0.050 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.284   1.638   1.657  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.919  -0.953  -0.341  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.221  -1.959   0.526  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.710  -3.057   0.769  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.002  -1.601   1.042  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.546  -2.293   1.620  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.406  -0.356   0.806  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.058   0.586   0.013  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.558   1.808  -0.263  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.349   2.095   0.278  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.618   1.223   1.087  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.170  -0.035   1.353  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.356   0.249  -0.559  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.141  -2.268  -2.100  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.261  -1.338  -0.900  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5