
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.3685   -4.9135    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775    0.7105    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -0.6784    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    1.3835   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -1.3563    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    0.6308   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142   -2.8556    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169    1.3388   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412   -3.4809    0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575   -0.7380   -0.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541   -3.4577    0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550    2.5486   -0.2082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    0.4530   -0.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937   -5.4064    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -5.2828   -0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -5.1354    1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150    1.2608    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156   -1.2274    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    2.4691   -0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -2.9039    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1752   -0.4586   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5 10  2  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9 20  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <ID>
Z1816233707

>  <Barcode>
0110705785

>  <Well>
F02

>  <Plate_ID>
816280-02

>  <MW>
180.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
