REMARK  Name = BDB035021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.248  -4.415  -0.855  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.272  -3.334  -0.614  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.992  -2.390   0.378  0.00  0.00    -0.265 N 
ATOM      4  O   LIG    1       -2.311  -3.325  -1.277  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.888  -1.273   0.537  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.184  -0.393  -0.534  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1       -3.108   0.677  -0.372  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.711   0.862   0.896  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1       -4.626   1.909   1.096  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.955   2.783   0.061  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.371   2.622  -1.188  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.386   0.003   1.954  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.460   1.586  -1.402  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.484  -1.047   1.781  0.00  0.00    +0.025 A 
BRANCH   6  15
ATOM     15  C   LIG    1       -1.433  -0.503  -1.756  0.00  0.00    +0.102 C 
ATOM     16  N   LIG    1       -0.745  -0.581  -2.690  0.00  0.00    -0.191 NA
ENDBRANCH   6  15
ENDBRANCH   3   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.114  -2.522   1.335  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.128  -1.448   1.113  0.00  0.00    +0.036 A 
ATOM     19  N   LIG    1        1.542  -1.047  -0.142  0.00  0.00    -0.355 N 
ATOM     20  H   LIG    1        1.185  -1.401  -1.022  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1        2.467  -0.038  -0.039  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        2.670   0.197   1.313  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        3.527   1.129   1.785  0.00  0.00    -0.231 NA
ATOM     24  C   LIG    1        4.183   1.839   0.850  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.043   1.661  -0.534  0.00  0.00    -0.009 A 
ATOM     26  C   LIG    1        4.831   2.483  -1.513  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        3.147   0.694  -1.008  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        1.832  -0.687   2.031  0.00  0.00    +0.052 A 
BRANCH  24  29
ATOM     29  N   LIG    1        5.068   2.797   1.358  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        4.854   3.716   0.991  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        4.966   2.766   2.370  0.00  0.00    +0.144 HD
ENDBRANCH  24  29
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5