
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6092   -1.7935   -0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976   -2.8637   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320   -2.0145   -0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459   -5.4039    0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9580   -4.7077    0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -4.3696   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198   -4.1679   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7328   -3.3013   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -4.4776    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554   -4.6088    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297   -5.2683   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7734   -3.4392    0.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -3.4502   -0.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -5.6955    0.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2290   -5.0398   -0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -6.5293   -0.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -3.2949    0.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954   -0.7872   -0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5695   -2.6776   -0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -1.1607   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5720   -6.4329    1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9625   -5.0675    0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -5.3646    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354   -2.6150   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5968   -6.6545   -0.3055 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 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  2  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  0  0  0  0
  4 21  1  0  0  0  0
  5  4  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  6  2  0  0  0  0
  8 13  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 13 24  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 16 25  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z2856434931

>  <Barcode>
0110706280

>  <Well>
E08

>  <Plate_ID>
816280-07

>  <MW>
232.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
