@<TRIPOS>MOLECULE
BindingDB_50148310
 46 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.7811   66.2318   76.4687  C     
2    N        13.3827   65.1386   75.9506  N     
3    O        11.4259   66.3076   76.6838  O     
4    O        13.6159   67.2217   76.8544  O     
5    O        14.8355   62.8352   75.2549  O     
6    C        10.7425   67.4053   77.3165  C     
7    C        13.8038   62.8394   75.9262  C     
8    C         9.2457   67.0707   77.6647  C     
9    C         8.8573   65.6333   77.5891  C     
10   C        12.7788   63.8533   75.7697  C     
11   C        10.8523   68.7230   76.4746  C     
12   C         8.4071   64.9086   78.7265  C     
13   C         8.8665   64.9565   76.3481  C     
14   C        12.0181   63.7337   74.4115  C     
15   C        11.8209   61.2864   73.5114  C     
16   C        11.1400   62.4518   74.2768  C     
17   C        10.8174   70.0090   77.3434  C     
18   C        11.1323   59.9038   73.7222  C     
19   C         8.0358   63.5485   78.6388  C     
20   C         8.4979   63.5921   76.2508  C     
21   C         8.0771   62.8892   77.3946  C     
22   H        14.3540   65.1858   75.8590  H     
23   H        11.2597   67.5587   78.2725  H     
24   H        13.6913   62.1113   76.6001  H     
25   H         9.0462   67.4390   78.6796  H     
26   H         8.5484   67.6098   77.0166  H     
27   H        12.0447   63.7114   76.5765  H     
28   H        11.7940   68.7410   75.9186  H     
29   H        10.0491   68.7650   75.7285  H     
30   H         8.3931   65.3584   79.6449  H     
31   H         9.1812   65.4317   75.4972  H     
32   H        11.3518   64.5913   74.3358  H     
33   H        12.7297   63.8137   73.5789  H     
34   H        11.8333   61.4981   72.4374  H     
35   H        12.8595   61.1724   73.8422  H     
36   H        10.8361   62.1142   75.2662  H     
37   H        10.2360   62.7004   73.7316  H     
38   H         9.9031   70.0520   77.9408  H     
39   H        10.8531   70.8923   76.6948  H     
40   H        11.6863   70.0306   78.0106  H     
41   H        11.2050   59.6099   74.7786  H     
42   H        11.6276   59.1388   73.1145  H     
43   H        10.0699   59.9461   73.4375  H     
44   H         7.7437   63.0339   79.4790  H     
45   H         8.5512   63.0988   75.3388  H     
46   H         7.8280   61.8953   77.3282  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    4 2
     4    2   10 1
     5    3    6 1
     6    5    7 2
     7    6    8 1
     8    6   11 1
     9    7   10 1
    10    8    9 1
    11    9   12 1
    12    9   13 2
    13   10   14 1
    14   11   17 1
    15   12   19 2
    16   13   20 1
    17   14   16 1
    18   15   16 1
    19   15   18 1
    20   19   21 1
    21   20   21 2
    22    2   22 1
    23    6   23 1
    24    7   24 1
    25    8   25 1
    26    8   26 1
    27   10   27 1
    28   11   28 1
    29   11   29 1
    30   12   30 1
    31   13   31 1
    32   14   32 1
    33   14   33 1
    34   15   34 1
    35   15   35 1
    36   16   36 1
    37   16   37 1
    38   17   38 1
    39   17   39 1
    40   17   40 1
    41   18   41 1
    42   18   42 1
    43   18   43 1
    44   19   44 1
    45   20   45 1
    46   21   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7401
  Crash		| -0.5612
  Polar		| 0.0746
  FragIndex	| 1
  FragRMSD	| 1.172