@<TRIPOS>MOLECULE
BindingDB_50181966
 39 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.5808   11.8955    3.8496  N     
2    C        -0.0070   11.5853    5.0422  C     
3    N         0.6795   10.8343    5.9535  N     
4    C         1.8299   11.4719    3.5229  C     
5    C         2.5341   10.6983    4.4593  C     
6    C         1.9396   10.3918    5.6824  C     
7    N         2.8156    9.6261    6.3792  N     
8    C         3.9007    9.4694    5.6081  C     
9    C         3.7561   10.1156    4.4498  C     
10   C         2.6498    9.0716    7.6262  C     
11   C         1.9181    9.7047    8.6612  C     
12   C         1.8164    9.0896    9.9227  C     
13   C         2.4261    7.8420   10.1490  C     
14   C         3.1465    7.2400    9.1029  C     
15   N         3.2371    7.8698    7.9026  N     
16   N        -1.2380   12.0910    5.2646  N     
17   C        -2.0158   11.9777    6.3787  C     
18   C        -2.8793   13.0532    6.6707  C     
19   C        -3.8024   12.9728    7.7362  C     
20   C        -3.8615   11.7961    8.5136  C     
21   C        -3.0118   10.7127    8.2216  C     
22   C        -2.0896   10.8042    7.1627  C     
23   S        -4.8338   14.3216    8.1284  S     
24   C        -6.0238   14.0986    6.7914  C     
25   H         2.2318   11.7074    2.6150  H     
26   H         4.7216    8.9762    5.8677  H     
27   H         4.4180   10.1571    3.7132  H     
28   H         1.4906   10.6198    8.5160  H     
29   H         1.3049    9.5518   10.6805  H     
30   H         2.3678    7.3895   11.0640  H     
31   H         3.6058    6.3377    9.2398  H     
32   H        -1.5892   12.6542    4.5599  H     
33   H        -2.8319   13.9096    6.1095  H     
34   H        -4.5355   11.7115    9.2755  H     
35   H        -3.0665    9.8568    8.7769  H     
36   H        -1.5112    9.9885    6.9423  H     
37   H        -5.5223   14.1623    5.8261  H     
38   H        -6.7795   14.8844    6.8474  H     
39   H        -6.5201   13.1295    6.8842  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   16 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   10 1
    12    8    9 2
    13   10   11 2
    14   10   15 1
    15   11   12 1
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   16   17 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   21   22 2
    27   23   24 1
    28    4   25 1
    29    8   26 1
    30    9   27 1
    31   11   28 1
    32   12   29 1
    33   13   30 1
    34   14   31 1
    35   16   32 1
    36   18   33 1
    37   20   34 1
    38   21   35 1
    39   22   36 1
    40   24   37 1
    41   24   38 1
    42   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6429
  Crash		| -1.1849
  Polar		| 2.1285
  FragIndex	| 1
  FragRMSD	| 0.139