Atorvastatin calcium.cdx
csChFnd80/03141313152D

 83 88  0  0  0  0  0  0  0  0999 V2000
    8.3429    5.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5553    6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7635    5.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9718    6.2159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1800    5.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3882    6.2159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5964    5.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8047    6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0129    5.5183    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8047    7.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3882    7.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9718    7.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0639    6.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1965    4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7738    7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8106    8.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470    7.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396    5.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196    4.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    6.4652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    6.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    7.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2333    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5131    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3141    1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6052    2.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5648    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3509    0.3829    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.4705    3.4419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2581    2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0499    3.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8417    2.7419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.6334    3.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4252    2.7419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.2170    3.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0087    2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8005    3.4394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.0087    1.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4252    1.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8417    1.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7495    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6863    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9863    5.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6169    4.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0396    1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0028    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3664    1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0738    3.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8938    4.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6413    2.4925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0287    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5982    1.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9905    0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8134    2.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2440    3.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8516    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5538    6.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5801    5.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9461    6.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5155    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6926    8.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3003    8.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7309    7.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8712    7.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8308    8.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4993    7.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2082    6.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2486    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4625    8.5748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  1  0  0  0
  4 12  1  1  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  1  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 29  1  0  0  0  0
 30 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 30  1  0  0  0  0
 38 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 47 52  1  1  0  0  0
 45 53  1  1  0  0  0
 42 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 42  1  0  0  0  0
 54 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 55 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 67 68  1  0  0  0  0
 68 69  2  0  0  0  0
 69 64  1  0  0  0  0
 56 70  1  0  0  0  0
 57 71  1  0  0  0  0
 70 72  2  0  0  0  0
 72 73  1  0  0  0  0
 73 74  2  0  0  0  0
 74 75  1  0  0  0  0
 75 76  2  0  0  0  0
 76 70  1  0  0  0  0
 71 77  2  0  0  0  0
 77 78  1  0  0  0  0
 78 79  2  0  0  0  0
 79 80  1  0  0  0  0
 80 81  2  0  0  0  0
 81 71  1  0  0  0  0
 79 82  1  0  0  0  0
M  END
>  <Mol_ID> (1)
61

>  <Formula> (1)
C66H68CaF2N4O10

>  <MolWeight> (1)
1155.3417264

>  <Item Name> (1)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (1)
S2077

>  <Synonyms> (1)
N/A

>  <Target> (1)
HMG-CoA Reductase

>  <URL> (1)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (1)
134523-03-8

$$$$
