REMARK  Name = BDB036839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.147   1.730   1.999  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.053   1.027   1.343  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.759   1.493   1.594  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.557   2.582   2.128  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.389  -0.031   0.368  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.850  -1.322   1.066  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.576  -1.603   2.231  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.556  -2.207   0.284  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.849  -3.060   0.742  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.081  -1.992  -0.965  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.808  -2.824  -1.499  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.681  -0.709  -1.654  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.451   0.407  -0.645  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.365   0.675   1.180  0.00  0.00    +0.075 A 
ATOM     15  C   LIG    1        1.503   1.130   0.541  0.00  0.00    +0.127 A 
ATOM     16  N   LIG    1        2.336   0.050   0.351  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.778  -1.088   0.846  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1        0.628  -0.691   1.391  0.00  0.00    +0.147 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.613   0.025  -0.277  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1        4.194   1.193  -0.791  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.449   1.139  -1.405  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.129  -0.073  -1.509  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.558  -1.237  -0.999  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.305  -1.191  -0.385  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH   3  14
TORSDOF 3