REMARK  Name = BDB048151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.434  -0.876   0.329  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.327   0.047  -0.188  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        2.382  -0.359  -0.926  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        2.573  -1.683  -1.114  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        1.780  -2.636  -0.587  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.726  -2.207   0.133  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.810  -2.125  -1.894  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        4.963  -2.328  -0.899  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        4.218  -1.062  -2.934  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        3.544  -3.444  -2.645  0.00  0.00    +0.019 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  N   LIG    1       -2.006  -0.835   0.746  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -0.713  -0.491   1.156  0.00  0.00    +0.252 C 
ATOM     13  O   LIG    1       -0.440   0.099   2.199  0.00  0.00    -0.270 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -3.167  -0.717   1.671  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1       -3.413   0.695   2.259  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -2.651   1.006   3.474  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1       -1.654   0.951   3.213  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -2.881  -0.004   4.508  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -2.465  -1.399   4.048  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.171  -1.806   2.759  0.00  0.00    +0.025 C 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.330  -1.187  -0.651  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.497  -0.566  -2.788  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.020  -0.048  -1.429  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.098   1.155  -1.629  0.00  0.00    +0.009 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  N   LIG    1        1.095   1.425  -0.027  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        0.857   1.608   0.951  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.183   2.296  -0.470  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.895   3.747  -0.268  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1        2.970   4.564  -0.065  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        2.488   5.823   0.090  0.00  0.00    +0.195 A 
ATOM     31  C   LIG    1        1.116   5.831  -0.013  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        0.731   4.490  -0.247  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 8