REMARK  Name = BDB013743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265  -0.366  -1.703  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.830   0.382  -0.906  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.842   1.078  -1.591  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.824   1.778  -0.888  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.800   1.780   0.509  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.798   1.109   1.210  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.821   0.410   0.501  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  S   LIG    1        4.056   2.675   1.396  0.00  0.00    +0.025 S 
ATOM      9  O   LIG    1        4.288   3.907   0.663  0.00  0.00    -0.164 OA
ATOM     10  O   LIG    1        3.675   2.713   2.796  0.00  0.00    -0.164 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.532   1.689   1.290  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1        5.620   0.514   2.044  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.775  -0.264   1.966  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.832   0.136   1.147  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.743   1.316   0.406  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.592   2.101   0.478  0.00  0.00    +0.027 A 
ENDBRANCH   8  11
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  N   LIG    1       -0.509  -1.726  -1.125  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        0.713  -2.549  -1.172  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -1.563  -2.465  -1.819  0.00  0.00    +0.105 C 
ENDBRANCH   1  17
BRANCH   1  21
ATOM     20  C   LIG    1       -2.302   0.425  -3.155  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -1.472   0.655  -1.893  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.266   0.863  -0.678  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1       -1.688   1.134   0.120  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.403   0.189  -0.275  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1       -3.592   0.054   1.197  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1       -4.710  -0.591   1.666  0.00  0.00    +0.070 A 
ATOM     27  C   LIG    1       -4.868  -0.707   3.048  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -3.896  -0.169   3.891  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.799   0.464   3.321  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -5.682  -1.124   0.712  0.00  0.00    +0.276 A 
ATOM     31  O   LIG    1       -6.681  -1.696   1.143  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.393  -0.939  -0.636  0.00  0.00    -0.230 N 
ATOM     33  C   LIG    1       -6.312  -1.413  -1.654  0.00  0.00    +0.176 C 
ATOM     34  N   LIG    1       -2.615   0.592   1.989  0.00  0.00    -0.251 NA
ATOM     35  N   LIG    1       -4.281  -0.284  -1.110  0.00  0.00    -0.151 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7