REMARK  Name = BDB023016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.843   3.102   0.690  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.856   2.069   1.826  0.00  0.00    +0.079 C 
ATOM      3  N   LIG    1       -1.081   0.701   1.338  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -2.399   0.311   1.117  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -2.584  -1.017   0.749  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -3.871  -1.353   0.105  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -4.158  -2.885   0.128  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -4.093  -3.523   1.465  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -5.415  -3.645   2.074  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -3.164  -2.814   2.369  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.039  -2.072   1.620  0.00  0.00    +0.125 C 
ATOM     12  O   LIG    1       -3.342   1.090   1.250  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1        0.008   0.135   0.529  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        1.388   0.426   1.072  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.572   1.387   2.049  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        2.869   1.556   2.472  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        3.908   0.861   1.979  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        3.643  -0.050   1.031  0.00  0.00    +0.216 A 
ATOM     19  N   LIG    1        2.416  -0.282   0.550  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        0.427   2.127   2.671  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   6  21
ATOM     21  C   LIG    1       -3.912  -0.841  -1.331  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -4.997  -0.064  -1.768  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.066   0.377  -3.091  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.052   0.055  -3.991  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.961  -0.703  -3.568  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.890  -1.148  -2.246  0.00  0.00    +0.005 A 
ENDBRANCH   6  21
BRANCH  18  27
ATOM     27  N   LIG    1        4.652  -0.843   0.515  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        4.312  -1.211  -0.365  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.958  -0.205   0.406  0.00  0.00    +0.161 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.161   0.764  -0.734  0.00  0.00    +0.080 A 
ATOM     31  N   LIG    1        6.946   0.449  -1.780  0.00  0.00    -0.175 NA
ATOM     32  N   LIG    1        6.893   1.537  -2.569  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        7.644   1.558  -3.801  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1        6.101   2.532  -2.073  0.00  0.00    +0.108 A 
ATOM     35  C   LIG    1        5.616   2.066  -0.872  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  18  27
TORSDOF 4