
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    0.1110   -1.3755   -3.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7134    5.2369    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5916    4.0275    1.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8131    5.5549   -0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5627    3.1395    0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7922    4.6612   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2821    2.9465   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7576    1.1028   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2775    2.0536   -1.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.2075   -0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9014   -1.2344   -2.5422 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6359    3.4354   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523    2.4925   -0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5255    0.6868   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334   -2.5274   -1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744   -3.6133   -2.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -2.3611   -0.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975   -0.1222   -1.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -0.4704   -4.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -1.5122   -3.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256   -2.2299   -4.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5081    5.9308    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2955    3.7697    1.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9050    6.4965   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4916    2.2091    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226    4.9329   -1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    4.0103   -0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7158    0.6910   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096    2.4378   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9665   -0.8559   -0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -1.0752   -2.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -1.4243   -0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  2  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 28  1  0  0  0  0
  9 14  2  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 18  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17 32  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z111782404

>  <Barcode>
0110705942

>  <Well>
A10

>  <Plate_ID>
816280-01

>  <MW>
242.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	18
3	C	16
4	C	17
5	C	15
6	C	14
7	C	7
8	C	8
9	C	12
10	C	11
11	C	2
12	C	6
13	C	4
14	C	9
15	C	1
16	O	5
17	O	10
18	O	3
19	H	26
20	H	25
21	H	27
22	H	32
23	H	30
24	H	31
25	H	29
26	H	28
27	H	20
28	H	21
29	H	24
30	H	23
31	H	19
32	H	22


> <ALATIS_Mixture_Map>

$$$$
