@<TRIPOS>MOLECULE
BindingDB_50294114
 32 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       123.8889   57.9458   -6.8007  C     
2    C       122.5635   58.6680   -6.4406  C     
3    C       121.7510   59.2011   -7.6581  C     
4    C       122.3079   60.5370   -8.2213  C     
5    N       121.3851   61.1680   -9.1181  N     
6    C       121.1329   62.4907   -9.2591  C     
7    N       120.2462   62.7871  -10.2301  N     
8    N       121.7402   63.4513   -8.5092  N     
9    N       124.9143   58.1367   -5.7642  N     
10   C       121.5299   64.8691   -8.5706  C     
11   C       122.6847   65.6011   -8.0691  C     
12   C       122.8153   66.9280   -8.2090  C     
13   H       123.7058   56.8722   -6.9104  H     
14   H       124.3034   58.3130   -7.7423  H     
15   H       121.9416   57.9677   -5.8781  H     
16   H       122.7743   59.5040   -5.7675  H     
17   H       121.7364   58.4423   -8.4426  H     
18   H       120.7192   59.3555   -7.3319  H     
19   H       122.5560   61.1963   -7.3852  H     
20   H       123.2189   60.3374   -8.7845  H     
21   H       120.9615   60.5884   -9.7692  H     
22   H       120.0170   63.7057  -10.4325  H     
23   H       122.4018   63.1463   -7.8676  H     
24   H       125.1502   59.1303   -5.7021  H     
25   H       125.7499   57.6046   -6.0123  H     
26   H       124.5599   57.8114   -4.8650  H     
27   H       121.3245   65.1819   -9.5984  H     
28   H       120.6619   65.1176   -7.9555  H     
29   H       123.4369   65.0918   -7.6627  H     
30   H       123.6382   67.3762   -7.8786  H     
31   H       122.1061   67.4776   -8.6342  H     
32   H       119.8604   62.0670  -10.7542  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    9 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    6    7 2
     8    6    8 1
     9    8   10 1
    10   10   11 1
    11   11   12 2
    12    1   13 1
    13    1   14 1
    14    2   15 1
    15    2   16 1
    16    3   17 1
    17    3   18 1
    18    4   19 1
    19    4   20 1
    20    5   21 1
    21    7   22 1
    22    8   23 1
    23    9   24 1
    24    9   25 1
    25    9   26 1
    26   10   27 1
    27   10   28 1
    28   11   29 1
    29   12   30 1
    30   12   31 1
    31    7   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3825
  Crash		| -0.6119
  Polar		| 3.2415
  FragIndex	| 1
  FragRMSD	| 0.229