REMARK  Name = BDB002215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.359  -0.581  -1.700  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1        0.400  -0.068  -0.815  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.916   0.165  -1.240  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -1.258  -0.078  -2.574  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.305  -0.573  -3.464  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.998  -0.822  -3.030  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.155  -1.575  -0.246  0.00  0.00    +0.114 C 
ATOM      8  C   LIG    1        2.750  -0.821  -1.288  0.00  0.00    +0.032 C 
BRANCH   7  11
ATOM      9  N   LIG    1        5.370  -0.598  -0.142  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        4.907   0.304  -0.176  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        4.617  -1.740   0.004  0.00  0.00    +0.254 C 
ATOM     12  O   LIG    1        5.087  -2.816   0.354  0.00  0.00    -0.269 OA
BRANCH   9  13
ATOM     13  C   LIG    1        6.760  -0.555   0.282  0.00  0.00    +0.132 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.494   0.620  -0.358  0.00  0.00    +0.178 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.471   2.972  -0.550  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        6.808   1.832  -0.017  0.00  0.00    -0.381 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7  11
BRANCH   7  17
ATOM     17  C   LIG    1        2.269  -2.308   0.592  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        1.513  -2.858   1.282  0.00  0.00    -0.191 NA
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.887   0.701  -0.276  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1       -3.060   0.134   0.073  0.00  0.00    +0.114 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.883   0.857   1.098  0.00  0.00    +0.254 C 
ATOM     22  N   LIG    1       -5.046   0.242   1.495  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -5.400  -0.591   1.032  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -3.536   1.946   1.550  0.00  0.00    -0.269 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -5.979   0.902   2.395  0.00  0.00    +0.132 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.004  -0.084   2.956  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -7.688  -0.782   1.909  0.00  0.00    -0.381 OA
ATOM     28  C   LIG    1       -8.747  -0.027   1.334  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  C   LIG    1       -3.521  -1.092  -0.477  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1       -3.946  -2.074  -0.928  0.00  0.00    -0.191 NA
ENDBRANCH  20  29
ENDBRANCH   3  19
TORSDOF 12