@<TRIPOS>MOLECULE
BindingDB_14795
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.5178    1.1598   64.6225  C     
2    C        43.7675    1.5691   64.1488  C     
3    N        41.5744    1.6262   63.7876  N     
4    N        42.1282    2.2996   62.8237  N     
5    C        42.1992    0.3600   65.8226  C     
6    C        45.0406    1.3048   64.7234  C     
7    O        45.1416    0.6595   65.9088  O     
8    O        46.1705    1.7107   64.0845  O     
9    C        47.5212    1.5454   64.5226  C     
10   C        48.4819    2.2097   63.5176  C     
11   C        41.3815    2.8385   61.8047  C     
12   C        40.2166    3.5966   62.0701  C     
13   C        39.4650    4.1503   61.0159  C     
14   C        39.8472    3.9730   59.6607  C     
15   C        40.9885    3.1699   59.4066  C     
16   C        41.7328    2.6099   60.4552  C     
17   C        43.4761    2.3238   63.0033  C     
18   C        44.4645    3.0896   62.1975  C     
19   N        39.1530    4.5495   58.6343  N     
20   O        39.5269    4.4936   57.4875  O     
21   O        38.0677    5.2508   58.8409  O     
22   H        42.6854   -0.6182   65.7633  H     
23   H        41.1246    0.2048   65.9094  H     
24   H        42.5418    0.8764   66.7243  H     
25   H        47.6446    2.0143   65.5031  H     
26   H        47.7485    0.4757   64.5955  H     
27   H        48.3947    1.7253   62.5377  H     
28   H        49.5097    2.1119   63.8692  H     
29   H        48.2405    3.2708   63.4131  H     
30   H        39.9283    3.7788   63.0350  H     
31   H        38.6436    4.7175   61.2461  H     
32   H        41.2848    2.9795   58.4449  H     
33   H        42.5391    2.0333   60.2214  H     
34   H        45.0467    3.7465   62.8473  H     
35   H        43.9791    3.7144   61.4450  H     
36   H        45.1442    2.3891   61.6883  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 am
    19   15   16 2
    20   17   18 1
    21   19   20 2
    22   19   21 1
    23    5   22 1
    24    5   23 1
    25    5   24 1
    26    9   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   10   29 1
    31   12   30 1
    32   13   31 1
    33   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9824
  Crash		| -0.7959
  Polar		| 3.9793
  FragIndex	| 1
  FragRMSD	| 0.501