@<TRIPOS>MOLECULE
BindingDB_18788
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.7846    2.4664   15.2448  C     
2    C        27.6532    2.7559   13.8731  C     
3    C        28.7381    2.5492   12.9865  C     
4    C        29.9326    2.0026   13.5063  C     
5    C        30.0630    1.7200   14.8765  C     
6    C        28.9900    1.9580   15.7532  C     
7    C        28.6612    2.8728   11.6018  C     
8    C        27.9214    2.0657   10.6965  C     
9    C        28.7211    3.3152    8.8482  C     
10   C        29.4089    3.9529   11.0423  C     
11   N        27.1622    1.0209   11.0730  N     
12   N        28.7940    3.5205    7.5214  N     
13   N        27.9810    2.2994    9.3593  N     
14   N        29.4033    4.1188    9.6911  N     
15   C        30.1216    4.9731   11.8606  C     
16   C        31.1747    5.8486   11.1384  C     
17   H        27.0079    2.6483   15.8862  H     
18   H        26.7725    3.1438   13.5310  H     
19   H        30.7286    1.8140   12.8884  H     
20   H        30.9431    1.3477   15.2466  H     
21   H        29.0887    1.7662   16.7567  H     
22   H        26.7044    0.4970   10.3963  H     
23   H        27.0670    0.7690   12.0065  H     
24   H        29.3510    4.2407    7.1728  H     
25   H        28.3214    2.9342    6.9114  H     
26   H        29.3628    5.6350   12.2917  H     
27   H        30.6437    4.4869   12.6853  H     
28   H        31.9867    5.2214   10.7575  H     
29   H        31.5971    6.5698   11.8378  H     
30   H        30.7281    6.3893   10.3069  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1187
  Crash		| -0.5251
  Polar		| 1.9184
  FragIndex	| 1
  FragRMSD	| 0.382