REMARK  Name = BDB018864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.215  -0.460  -0.830  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1        1.154  -0.260  -0.755  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.096  -0.350   0.291  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        3.377  -0.044  -0.200  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        4.503  -0.043   0.626  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        4.328  -0.359   1.976  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        3.056  -0.667   2.471  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        3.335   0.243  -1.671  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        1.937  -0.665   1.630  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.838   0.239  -1.955  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -0.802  -0.270  -1.906  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -3.131   0.258   0.302  0.00  0.00    +0.404 C 
ATOM     13  N   LIG    1       -2.440  -0.917   0.175  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1       -0.997  -0.986   0.391  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1       -0.753  -2.483   0.594  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -1.821  -3.135  -0.285  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1       -3.018  -2.209  -0.133  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1       -2.603   1.316   0.618  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1       -4.455   0.086   0.058  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.025   2.267  -0.936  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -5.373   1.206   0.114  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1       -5.447   1.798   1.526  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -6.742   0.603  -0.236  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  C   LIG    1        5.822   0.261   0.113  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        6.624   1.308   0.520  0.00  0.00    +0.143 A 
ATOM     26  N   LIG    1        7.762   1.226  -0.229  0.00  0.00    -0.267 N 
ATOM     27  H   LIG    1        8.574   1.835  -0.203  0.00  0.00    +0.190 HD
ATOM     28  N   LIG    1        7.761   0.200  -1.099  0.00  0.00    -0.181 NA
ATOM     29  C   LIG    1        6.581  -0.388  -0.888  0.00  0.00    +0.144 A 
BRANCH  25  30
ATOM     30  C   LIG    1        6.407   2.318   1.490  0.00  0.00    +0.119 C 
ATOM     31  N   LIG    1        6.269   3.151   2.284  0.00  0.00    -0.189 NA
ENDBRANCH  25  30
ENDBRANCH   5  24
TORSDOF 5