
 OpenBabel04291915423D

 46 49  0  0  1  0  0  0  0  0999 V2000
  -18.0446   -3.5443    1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7160   -2.4152    1.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0589   -2.4145    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7305   -3.5430    1.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0591   -4.6722    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7017   -3.5450    1.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9608   -4.7911    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1813   -4.4709    1.7939 S   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2954   -5.9609    2.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9967   -5.9615    2.1595 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3474   -7.0536    2.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0486   -7.0542    2.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3994   -8.1462    2.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4510   -4.8720    1.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1004   -5.9634    2.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4512   -7.0555    2.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1006   -8.1469    2.6944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3835   -9.3530    2.9921 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8891   -9.0842    2.9229 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5197   -8.0122    3.9352 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0253   -7.7433    3.8660 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.7285  -10.3545    2.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654   -9.0214    4.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693   -8.7702    4.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2296   -6.8182    3.6405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792  -10.2782    3.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7570   -1.2403    1.0045 N   0  3  0  0  0  0  0  0  0  0  0  0
  -20.1648   -0.2450    0.7568 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0585   -1.2397    1.0066 O   0  5  0  0  0  0  0  0  0  0  0  0
  -18.5607   -4.4116    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1999   -1.5479    1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7625   -3.5425    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4197   -5.6106    2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2208   -5.5458    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2179   -5.1254    2.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8635   -7.9208    2.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4192   -7.0560    2.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6406   -9.6874    3.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6320   -8.7499    1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7768   -8.3465    4.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3582   -6.9092    3.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5254   -9.7760    3.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225   -9.3557    5.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362   -8.4671    3.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9965   -6.5151    2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4122  -10.5812    4.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3 27  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  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 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <SKU>
A13701

>  <Product Name>
NBMPR

>  <CAS>
38048-32-7

>  <M.Wt>
419.41178

>  <Formula>
C17H17N5O6S

>  <Synonyms>
NBTI, NBMPR 

>  <URL>
https://www.adooq.com/nbmpr.html

$$$$
