REMARK  Name = BDB054761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.310   0.399   2.826  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.787   0.579   4.063  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -3.110   0.406   4.167  0.00  0.00    +0.184 A 
ATOM      4  C   LIG    1       -3.914   0.029   3.113  0.00  0.00    +0.125 A 
ATOM      5  N   LIG    1       -5.174  -0.017   3.642  0.00  0.00    -0.340 N 
ATOM      6  H   LIG    1       -6.024  -0.226   3.138  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -5.081   0.310   4.966  0.00  0.00    +0.199 A 
ATOM      8  C   LIG    1       -3.373  -0.198   1.862  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -3.841   0.565   5.316  0.00  0.00    -0.216 NA
ATOM     10  N   LIG    1       -2.047   0.033   1.751  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.074   0.557   2.733  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1        0.431   0.768   3.654  0.00  0.00    +0.155 HD
BRANCH  11  15
ATOM     13  C   LIG    1        2.916   0.227   3.187  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1        2.341   0.606   1.846  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        0.953   0.777   1.666  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        0.506   1.101   0.385  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        1.397   1.278  -0.681  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        2.777   1.115  -0.525  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.227   0.791   0.761  0.00  0.00    +0.028 A 
BRANCH  18  20
ATOM     20  N   LIG    1        3.627   1.309  -1.625  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1        5.076   1.456  -1.372  0.00  0.00    +0.133 C 
ATOM     22  C   LIG    1        5.792   1.873  -2.666  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1        5.562   0.924  -3.720  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1        4.155   0.830  -3.995  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1        3.358   0.387  -2.757  0.00  0.00    +0.133 C 
ENDBRANCH  18  20
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   8  26
ATOM     26  N   LIG    1       -4.160  -0.633   0.805  0.00  0.00    -0.324 N 
ATOM     27  H   LIG    1       -4.964  -1.161   1.118  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.571  -1.181  -0.419  0.00  0.00    +0.072 C 
ATOM     29  C   LIG    1       -2.965  -0.096  -1.321  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -1.859  -0.633  -2.234  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -2.139  -2.064  -2.678  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -2.222  -3.031  -1.494  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -2.628  -2.362  -0.177  0.00  0.00    +0.022 C 
ENDBRANCH  26  28
ENDBRANCH   8  26
TORSDOF 5