REMARK  Name = BDB015000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.120  -1.643  -1.627  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.097  -0.766  -1.266  0.00  0.00    +0.169 C 
BRANCH   2   4
ATOM      3  C   LIG    1        0.634   1.312  -2.342  0.00  0.00    +0.194 C 
ATOM      4  O   LIG    1        1.384   0.104  -2.378  0.00  0.00    -0.375 OA
ENDBRANCH   2   4
BRANCH   2   5
ATOM      5  C   LIG    1        2.334  -1.665  -0.989  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.458  -0.995  -0.289  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.049   0.086  -1.105  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.358   0.633  -0.568  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.108  -0.075   0.386  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.322   0.449   0.849  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.805   1.657   0.347  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.076   2.352  -0.614  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.571  -1.363   0.949  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        5.861   1.843  -1.072  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.496  -1.984   0.049  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.505  -2.517  -0.567  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.352  -2.049   0.398  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.841  -0.746   0.513  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -2.716  -0.394   1.558  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.071  -1.368   2.501  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.584  -2.669   2.393  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.728  -3.004   1.345  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.205   1.032   1.688  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.614   1.148   2.064  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -4.742   2.014   2.585  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.591   1.108   0.980  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -5.715   2.415   0.192  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -6.508   2.038  -1.062  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.482   0.511  -1.148  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.438   0.067  -0.128  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9