
 OpenBabel04291915403D

 52 55  0  0  0  0  0  0  0  0999 V2000
   -4.3130   -4.9310   -1.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3700   -6.3467   -1.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2336   -7.0307   -2.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853   -8.3131   -2.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733   -8.9115   -2.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6096   -8.2275   -2.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3183   -5.0642   -1.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5540   -6.8485   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6904   -6.1645   -1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6387   -4.8821   -1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7750   -4.1981   -1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442   -6.2895   -1.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7195   -2.8191   -0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8314   -2.1498   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7758   -0.7709   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6516   -0.2046   -0.0693 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1088   -2.7933   -0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8659   -2.3214   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2232    1.0131    0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -0.3955   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896    0.7768    0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046   -1.0826   -0.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0298   -0.0160   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5270  -10.2451   -3.1624 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5248  -10.8484   -3.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6783  -10.8251   -3.3412 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9226   -6.3703   -1.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2994   -4.2941   -2.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262   -4.7706   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1722   -4.7064   -0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4121   -8.8387   -2.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080   -4.0987   -1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6033   -6.6244   -2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7258   -4.4222   -1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066   -2.3592   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9108    0.6305    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -3.2431   -1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5904    1.9348    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335   -0.6651   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8693   -0.6501   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0627    0.8308   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0629    0.3163    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3718   -6.3805   -2.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -6.8950   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3 33  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 37  1  0  0  0  0
  5 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  CHG  2  30   1  32  -1
M  END
>  <SKU>
A12815

>  <Product Name>
C646

>  <CAS>
328968-36-1

>  <M.Wt>
445.42416

>  <Formula>
C24H19N3O6

>  <Synonyms>
C 646, C-646

>  <URL>
https://www.adooq.com/c646.html

$$$$
