REMARK  Name = BDB007619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.377   0.263   1.198  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.587   0.153   0.218  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.322   0.040  -0.751  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.114   0.240   2.395  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.527   0.517  -0.055  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -4.144  -0.003   1.192  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.800  -0.078   1.587  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.788   0.366   0.737  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.136   0.908  -0.499  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.484   0.975  -0.882  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.152   0.515  -1.893  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -5.858   0.603  -0.459  0.00  0.00    -0.328 N 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.969   0.450   0.502  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1       -8.206   1.293   0.151  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -9.273   0.377  -0.146  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -8.991  -0.815   0.593  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -7.490  -0.980   0.539  0.00  0.00    +0.052 C 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1        2.001   0.039   0.554  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.368  -1.361   1.062  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.113  -2.323   0.026  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.149  -2.311  -0.110  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.818  -1.496   1.600  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.994  -1.194   0.767  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.361   0.225   0.737  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.553   0.531  -0.147  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.993  -0.386  -1.117  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        8.082  -0.064  -1.939  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.714   1.173  -1.818  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.270   2.092  -0.871  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.339  -1.740  -1.222  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.194   1.775  -0.041  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.949  -1.778  -0.573  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8