
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -2.6890    0.1221   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377   -5.5320    0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -5.3579    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.4491    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -6.8890    0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -6.7212    0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692    0.9053   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171   -0.0096   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -4.7432    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -1.0721    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884   -2.4933    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -7.5007    0.8610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -3.3433    0.1802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -2.8591    0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476    1.1781   -0.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    0.3681   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361    0.9321    0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141   -0.7860    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338   -5.1360    0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -4.8004    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329   -0.9125    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -7.5400    0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342   -7.2344    0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    1.7631   -0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -2.9107    0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  2  2  0  0  0  0
  5 22  1  0  0  0  0
  6  3  1  0  0  0  0
  6 23  1  0  0  0  0
  7  4  2  0  0  0  0
  7 15  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 13 25  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z136583524

>  <Barcode>
0110705869

>  <Well>
G11

>  <Plate_ID>
816280-01

>  <MW>
202.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
