
 OpenBabel04291915373D

 71 75  0  0  1  0  0  0  0  0999 V2000
   -6.0103    0.8702   -4.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851    0.9768   -4.5467 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6973    0.7360   -3.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789    0.8502   -3.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    0.6229   -2.8845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122    0.3481   -1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325    0.2967   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5801    0.0324   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305    0.2990   -1.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668    0.3521   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9004   -0.0190    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8079    0.2023   -0.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3424    0.4771   -2.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1864    0.6829   -3.1699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7535    0.9384   -4.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6261    1.1512   -5.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9465    1.0998   -5.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3941    0.8356   -3.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4766    0.9881   -4.5995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1785    1.4154   -6.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0860    1.6367   -7.6421 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6205    1.9115   -8.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4932    2.1243   -9.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2353    2.0565   -9.6114 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8672    3.4031   -9.9523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9842    0.7630  -10.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4786    0.7048  -10.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7479    1.0763  -12.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4726    1.7419   -8.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0455    2.3885  -11.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9182    2.6013  -12.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4706    2.8656  -13.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3002    1.9629   -9.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221    0.5285   -2.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3481   -0.2832    1.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    0.1353   -0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637    0.6778   -3.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4699    2.3681   -5.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1476   -0.0177   -3.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    0.2474   -5.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488   -0.2434   -3.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8491    1.4654   -2.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274    1.8296   -4.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1271    0.1207   -4.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    0.4602   -2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005    0.5736   -2.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -0.5924   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240    1.1161   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7758    0.1646   -0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6171    1.2633   -5.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1785    0.6955   -3.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5087    1.0258   -4.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0539    1.5990   -7.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5412   -0.1812  -10.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9216    1.6490  -10.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6449    0.4842   -9.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9213   -0.0598  -10.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1909    2.0205  -12.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1906    0.3117  -12.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6959    1.1173  -12.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0309    2.4281  -11.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9328    2.5618  -11.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5350    3.0804  -14.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760    1.8673   -8.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969    0.4333   -1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0456   -0.4420    2.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680    0.0888   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112   -0.1412   -3.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9939    1.0115   -2.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9531    3.1902   -4.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6911    2.7476   -6.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5 37  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 35  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  2  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 30  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  2  0  0  0  0
 24 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 30 31  2  0  0  0  0
 30 61  1  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  2  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 36  2  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
M  END
>  <SKU>
A11218

>  <Product Name>
Mps1-IN-1

>  <CAS>
1125593-20-5

>  <M.Wt>
535.65772

>  <Formula>
C28H33N5O4S

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/1mps1-in-1.html

$$$$
