REMARK  Name = BDB035863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.048  -1.878  -0.087  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        1.001  -2.809  -0.528  0.00  0.00    +0.090 C 
ATOM      3  C   LIG    1        2.200  -2.048  -1.118  0.00  0.00    +0.052 C 
ATOM      4  C   LIG    1        2.644  -0.898  -0.243  0.00  0.00    -0.022 C 
ATOM      5  C   LIG    1        1.824  -0.447   0.726  0.00  0.00    -0.006 C 
ATOM      6  C   LIG    1        0.458  -1.016   0.993  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.958  -0.329  -0.514  0.00  0.00    +0.083 A 
ATOM      8  N   LIG    1        4.252  -0.183  -1.866  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        5.414   0.317  -2.191  0.00  0.00    +0.158 A 
ATOM     10  C   LIG    1        6.376   0.699  -1.199  0.00  0.00    +0.156 A 
ATOM     11  N   LIG    1        6.049   0.526   0.117  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        7.120   0.953   0.852  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1        8.056   1.371  -0.078  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        9.407   1.931   0.150  0.00  0.00    +0.067 C 
ATOM     15  N   LIG    1        7.577   1.205  -1.362  0.00  0.00    -0.231 NA
ATOM     16  C   LIG    1        4.822   0.002   0.470  0.00  0.00    +0.120 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.256  -2.611   0.323  0.00  0.00    +0.121 C 
BRANCH  17  27
ATOM     18  C   LIG    1       -6.284   1.533   0.305  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -5.509   1.730  -0.966  0.00  0.00    +0.252 A 
ATOM     20  O   LIG    1       -5.842   2.562  -1.804  0.00  0.00    -0.268 OA
ATOM     21  N   LIG    1       -4.406   0.938  -1.152  0.00  0.00    -0.321 N 
ATOM     22  H   LIG    1       -3.893   1.081  -2.011  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -3.978  -0.013  -0.218  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.686  -0.189   0.969  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -4.343  -1.080   1.923  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1       -3.240  -1.826   1.675  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -2.458  -1.721   0.524  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -2.853  -0.792  -0.447  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -5.869   0.629   1.210  0.00  0.00    +0.038 A 
BRANCH  18  31
ATOM     30  C   LIG    1       -8.697   1.928  -0.276  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -7.489   2.406   0.518  0.00  0.00    +0.037 C 
ENDBRANCH  18  31
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 4