REMARK  Name = BDB031196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.110  -0.088  -2.397  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.547   1.127  -1.566  0.00  0.00    +0.241 C 
ATOM      3  N   LIG    1       -1.732   1.039  -0.863  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1       -2.208   2.135  -0.021  0.00  0.00    +0.144 C 
ATOM      5  C   LIG    1       -3.688   1.828   0.189  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1       -3.738   0.303   0.187  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.679  -0.074  -0.852  0.00  0.00    +0.140 C 
ATOM      8  O   LIG    1        0.144   2.148  -1.480  0.00  0.00    -0.273 OA
BRANCH   4   9
ATOM      9  C   LIG    1       -1.424   2.144   1.260  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1       -0.143   2.645   1.309  0.00  0.00    -0.347 N 
ATOM     11  H   LIG    1        0.366   2.996   0.504  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        0.315   2.502   2.588  0.00  0.00    +0.104 A 
ATOM     13  C   LIG    1       -0.721   1.918   3.274  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1       -1.790   1.694   2.445  0.00  0.00    -0.239 NA
ENDBRANCH   4   9
BRANCH   6  15
ATOM     15  O   LIG    1       -5.027  -0.154  -0.191  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -5.635   0.076   0.534  0.00  0.00    +0.210 HD
ENDBRANCH   6  15
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  C   LIG    1        1.267  -2.324   0.104  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        1.052  -1.040  -0.334  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        0.391  -1.157  -1.528  0.00  0.00    -0.259 N 
ATOM     20  N   LIG    1        0.181  -2.443  -1.890  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1        0.721  -3.149  -0.892  0.00  0.00    +0.146 A 
BRANCH  17  26
ATOM     22  C   LIG    1        3.650  -2.483   4.644  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1        2.980  -2.814   3.367  0.00  0.00    +0.081 A 
ATOM     24  N   LIG    1        2.801  -4.091   3.011  0.00  0.00    -0.083 NA
ATOM     25  O   LIG    1        2.156  -4.051   1.788  0.00  0.00    -0.354 OA
ATOM     26  C   LIG    1        1.958  -2.755   1.413  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1        2.467  -1.933   2.389  0.00  0.00    +0.076 A 
ENDBRANCH  17  26
ENDBRANCH   1  19
BRANCH   1  28
ATOM     28  C   LIG    1        0.880   0.214  -3.554  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1        0.277   1.198  -4.562  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        2.272   0.686  -3.121  0.00  0.00    +0.010 C 
ENDBRANCH   1  28
TORSDOF 6