REMARK  Name = BDB022115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.631  -0.666  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -1.170  -0.220  -0.254  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1       -1.808  -1.343   0.268  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1       -1.008  -2.453   0.154  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.099  -2.016  -0.437  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.101  -1.444   0.912  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1       -3.529  -2.672   1.271  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1       -4.727  -2.772   1.886  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1       -5.496  -1.669   2.217  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -6.801  -1.715   2.942  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -4.972  -0.460   1.806  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1       -3.794  -0.317   1.172  0.00  0.00    -0.219 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -5.078  -4.164   2.194  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1       -6.575  -4.838   1.692  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1       -6.199  -6.362   2.369  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.940  -6.383   2.926  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.291  -5.120   2.813  0.00  0.00    +0.017 A 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  N   LIG    1        2.405   0.176  -0.753  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        1.111   0.195  -1.292  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1        0.825   0.904  -2.255  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.748  -0.358   0.571  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        2.319   0.543   1.719  0.00  0.00    +0.024 C 
ENDBRANCH  18  21
BRANCH  18  23
ATOM     23  C   LIG    1        3.423   0.983  -1.440  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.314   2.499  -1.175  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.396   3.338  -1.688  0.00  0.00    -0.301 NA
BRANCH  25  27
ATOM     26  C   LIG    1        5.800   2.292  -3.520  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.689   3.253  -3.114  0.00  0.00    +0.081 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1        5.492   3.660  -0.786  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        6.192   2.480  -0.121  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   1  19
BRANCH   2  30
ATOM     30  C   LIG    1       -1.795   1.121  -0.353  0.00  0.00    +0.215 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -2.786   1.019  -1.367  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -3.451   2.256  -1.572  0.00  0.00    +0.194 C 
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 11