@<TRIPOS>MOLECULE
BindingDB_21961
 48 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        13.9588    1.8020   19.8964  O     
2    O        15.1585    0.5496   21.0178  O     
3    N        11.8182    0.0214   23.4539  N     
4    N        13.1141    0.8942   21.6793  N     
5    N        13.9978   -0.6125   23.2925  N     
6    N        14.1132    1.0522   20.9009  N     
7    C         8.1348    1.0162   23.8190  C     
8    C         9.4624    0.2525   24.0780  C     
9    C        10.5939    0.6689   23.1055  C     
10   C        12.9908    0.1207   22.7882  C     
11   C         7.0472    0.7757   24.9144  C     
12   C         5.9469    1.7347   24.8158  C     
13   N         6.5885   -0.6282   24.8663  N     
14   N         6.2289    3.0221   24.9859  N     
15   C         5.4050    4.1945   24.9317  C     
16   C         3.8821    4.1253   24.7082  C     
17   C         5.8472    5.1171   23.7757  C     
18   C         3.5244    5.5608   24.2464  C     
19   C         3.2528    6.5448   25.2907  C     
20   O         3.5115    6.3443   26.4696  O     
21   N         2.6844    7.6923   24.9907  N     
22   N         4.6935    5.9671   23.4317  N     
23   O         4.8044    1.3436   24.6130  O     
24   H        11.8092   -0.5553   24.2334  H     
25   H        12.3172    1.3843   21.4256  H     
26   H        14.8703   -0.6176   22.8728  H     
27   H         8.3730    2.0828   23.7692  H     
28   H         7.7345    0.7230   22.8431  H     
29   H         9.7931    0.4465   25.1018  H     
30   H         9.2890   -0.8212   23.9733  H     
31   H        10.7394    1.7511   23.1517  H     
32   H        10.3124    0.3936   22.0860  H     
33   H         7.5030    0.9150   25.8986  H     
34   H         6.2702   -0.8617   23.9228  H     
35   H         5.8201   -0.7645   25.5270  H     
36   H         7.3592   -1.2483   25.1223  H     
37   H         7.1627    3.2116   25.1728  H     
38   H         5.5761    4.7211   25.8762  H     
39   H         3.6444    3.4302   23.8980  H     
40   H         3.3462    3.8142   25.6090  H     
41   H         6.6983    5.7379   24.0677  H     
42   H         6.1222    4.5348   22.8908  H     
43   H         2.6387    5.5126   23.6076  H     
44   H         2.4917    8.3379   25.6905  H     
45   H         2.4563    7.8997   24.0697  H     
46   H         4.9279    6.9494   23.6022  H     
47   H         4.4817    5.8466   22.4361  H     
48   H        13.8460   -1.1334   24.0984  H     
@<TRIPOS>BOND
     1    1    6 1
     2    2    6 2
     3    3    9 1
     4    3   10 1
     5    4    6 1
     6    4   10 1
     7    5   10 2
     8    7    8 1
     9   11    7 1
    10    8    9 1
    11   11   12 1
    12   11   13 1
    13   12   14 am
    14   12   23 2
    15   15   14 1
    16   15   16 1
    17   15   17 1
    18   16   18 1
    19   17   22 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 am
    24    3   24 1
    25    4   25 1
    26    5   26 1
    27    7   27 1
    28    7   28 1
    29    8   29 1
    30    8   30 1
    31    9   31 1
    32    9   32 1
    33   11   33 1
    34   13   34 1
    35   13   35 1
    36   13   36 1
    37   14   37 1
    38   15   38 1
    39   16   39 1
    40   16   40 1
    41   17   41 1
    42   17   42 1
    43   18   43 1
    44   21   44 1
    45   21   45 1
    46   22   46 1
    47   22   47 1
    48    5   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6010
  Crash		| -1.2007
  Polar		| 8.6689
  FragIndex	| 1
  FragRMSD	| 1.170