REMARK  Name = BDB001399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.699  -0.902   0.989  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        0.080  -0.644  -0.319  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1        0.079  -2.006  -0.966  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.507  -2.956  -0.044  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.577  -4.303  -0.339  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.205  -4.697  -1.624  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.221  -3.747  -2.573  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.286  -2.390  -2.248  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.820  -2.272   1.211  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.107  -2.864   2.233  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.342  -0.075  -0.180  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.366  -0.817   0.432  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.644  -0.276   0.610  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.964   1.026   0.181  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -2.943   1.761  -0.436  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.659   1.225  -0.611  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.372   1.601   0.429  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -5.613   2.971  -0.247  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.578   1.791   1.947  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.455   0.636  -0.113  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.622   0.080   2.066  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.122   0.159   2.643  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        1.700  -0.017   3.155  0.00  0.00    +0.016 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  O   LIG    1        0.875   0.220  -1.146  0.00  0.00    -0.346 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.291   0.187  -0.933  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.994   0.793  -2.150  0.00  0.00    +0.137 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.417   0.981  -1.938  0.00  0.00    -0.282 N 
ATOM     28  C   LIG    1        4.931   1.978  -1.111  0.00  0.00    +0.302 C 
ATOM     29  O   LIG    1        4.333   2.936  -0.648  0.00  0.00    -0.253 OA
ATOM     30  N   LIG    1        6.270   1.686  -0.885  0.00  0.00    -0.298 N 
ATOM     31  H   LIG    1        6.867   2.392  -0.468  0.00  0.00    +0.150 HD
ATOM     32  C   LIG    1        6.696   0.590  -1.708  0.00  0.00    +0.124 C 
ATOM     33  C   LIG    1        5.384  -0.083  -2.104  0.00  0.00    +0.128 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8