
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -8.1346    0.1224   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7958   -0.9818   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1484    1.0257   -1.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4701   -1.1769    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8248    0.8217   -1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    0.4723    0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904   -1.9116    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    0.6277    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4530   -1.7468    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -0.9618    0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -0.7989    0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4516   -0.2773   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0402   -0.4717    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754   -1.1215    2.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600   -1.2647    2.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -1.0989    3.3187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1637    0.2761   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5637   -1.6943   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4018    1.8869   -2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2479   -2.0446    0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0760    1.5341   -1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469    1.3600    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738   -2.9177    0.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6239    1.6359    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0437   -2.6364   -0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629   -1.8371    0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7297   -0.0877    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.9799    2.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4 12  2  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  2  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  8 24  1  0  0  0  0
  9  7  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 13  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <ID>
Z2856434779

>  <Barcode>
0110705897

>  <Well>
E07

>  <Plate_ID>
816280-01

>  <MW>
212.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
