
 OpenBabel04291915473D

 72 75  0  0  0  0  0  0  0  0999 V2000
    9.2786    0.9691    2.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9924    0.6540    1.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444   -0.8306    1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    1.0021    2.3674 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    0.8020    1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3915    0.3280    0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    1.1616    2.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928    0.8643    2.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439    1.1016    2.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940    1.6082    3.7854 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    1.8774    4.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    2.4012    5.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    0.3577    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287    0.1334    0.3119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    2.6795    6.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    3.2033    7.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380    3.4487    8.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2809    1.6320    3.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2674    3.4829    8.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2141    4.0239    9.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266    4.2418   10.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5681    4.8346   11.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9342    5.0454   11.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776    5.6187   13.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2902    5.8366   13.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2317    6.4295   15.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6442    6.6474   15.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6466    5.9691   11.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    0.8023    1.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659    1.0478    2.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    0.7694    1.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505    0.2456    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2626    0.0002   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8737    0.2786    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955    1.0159    2.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8691    0.7285    1.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3124    2.0142    2.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1180    0.7094    1.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3107    0.4054    3.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602    1.2176    0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -1.3943    2.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7838   -1.0903    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   -1.0524    0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096    1.3822    3.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404    2.2067    2.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4388    0.5980    3.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    2.4909    5.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864    3.7616    8.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    1.3191    3.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6955    3.3515   10.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971    4.9602    9.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    4.9142    9.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    3.3055   10.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1622   12.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    5.7710   11.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3591    4.9463   13.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3607    6.5551   13.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8087    6.5090   13.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8071    4.9003   13.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131    5.7571   15.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7148    7.3658   15.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1907    5.8762   16.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193    7.3567   16.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883    6.7787   10.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507    5.7565   10.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056    1.4503    3.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3238    0.0317    0.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -0.4023   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867    0.0900    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7086    0.9881    2.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029   -0.3166    1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9013    1.2921    0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 47  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 66  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 67  1  0  0  0  0
 33 34  2  0  0  0  0
 33 68  1  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END
>  <SKU>
A16188

>  <Product Name>
Vasopressin antagonist 1867

>  <CAS>
909391-88-4

>  <M.Wt>
492.60984

>  <Formula>
C28H36N4O4

>  <Synonyms>
Compound 12i

>  <URL>
https://www.adooq.com/vasopressin-antagonist.html

$$$$
