
 OpenBabel04291915453D

 52 55  0  0  0  0  0  0  0  0999 V2000
    3.7683    5.3211   -4.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    4.3798   -3.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    4.7251   -3.7848 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    5.8193   -4.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    6.4387   -5.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669    4.9673   -3.9831 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    5.8775   -4.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5060    5.5117   -4.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3686    6.3910   -5.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7196    6.0493   -4.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6429    6.9905   -5.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939    6.6488   -5.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    3.9959   -3.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656    4.3017   -3.4427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8024    3.5725   -2.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0800    3.8957   -3.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0770    3.1945   -2.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3547    3.5177   -2.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3516    2.8165   -2.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.5481   -2.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    2.1217   -1.6943 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117    0.7401   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    0.2403   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283   -0.8067    0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088   -1.3065    1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -2.3535    1.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452    2.8944   -2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    6.3279   -3.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    5.2343   -5.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297    4.4666   -2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0282    3.3730   -3.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    6.5562   -4.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118    5.4626   -5.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953    7.4671   -4.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925    6.3218   -6.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765    6.8844   -4.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8751    5.7908   -5.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6893    4.5049   -4.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    5.5985   -3.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9028    5.0425   -5.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    6.1361   -3.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4596    7.9974   -5.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4582    6.9038   -6.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    6.7274   -4.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    4.6829   -3.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613    2.4073   -1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5704    4.3049   -3.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3273    2.5548   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719    0.6609   -0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -1.2272    0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884   -0.8860    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -3.1493    2.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
M  END
>  <SKU>
A15216

>  <Product Name>
Quetiapine

>  <CAS>
111974-69-7

>  <M.Wt>
383.5071

>  <Formula>
C21H25N3O2S

>  <Synonyms>
Ketipinor

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

$$$$
