REMARK  Name = BDB001976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.101   1.096   0.796  0.00  0.00    -0.302 N 
ATOM      2  C   LIG    1        0.113   2.415   0.414  0.00  0.00    +0.153 A 
ATOM      3  C   LIG    1       -0.811   3.479   0.609  0.00  0.00    +0.282 A 
ATOM      4  N   LIG    1       -0.371   4.692   0.068  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.821   4.882  -0.658  0.00  0.00    +0.333 A 
ATOM      6  N   LIG    1        1.661   3.779  -0.801  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1        2.914   3.893  -1.525  0.00  0.00    +0.155 C 
ATOM      8  O   LIG    1        1.100   5.982  -1.145  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.231   5.851   0.205  0.00  0.00    +0.157 C 
ATOM     10  O   LIG    1       -1.887   3.337   1.182  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1        1.286   2.573  -0.260  0.00  0.00    +0.170 A 
ATOM     12  N   LIG    1        2.002   1.421  -0.319  0.00  0.00    -0.196 NA
ATOM     13  C   LIG    1        1.267   0.529   0.311  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  13  14
ATOM     14  N   LIG    1        1.560  -0.774   0.505  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        0.794  -1.442   0.547  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.679  -1.334  -0.244  0.00  0.00    +0.178 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.882  -2.788   0.026  0.00  0.00    +0.122 A 
ATOM     18  O   LIG    1        1.797  -3.597  -0.161  0.00  0.00    -0.466 OA
ATOM     19  C   LIG    1        2.187  -4.860   0.147  0.00  0.00    +0.195 A 
ATOM     20  C   LIG    1        3.508  -4.877   0.527  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        3.959  -3.537   0.451  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
BRANCH   1  22
ATOM     22  C   LIG    1       -0.880   0.444   1.653  0.00  0.00    +0.160 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -2.694  -2.655   0.344  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -1.827  -1.824   1.060  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -1.831  -0.431   0.874  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -2.747   0.119  -0.031  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.617  -0.705  -0.745  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.589  -2.089  -0.562  0.00  0.00    +0.045 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -3.398  -4.880  -0.106  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.566  -3.988   0.624  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6