
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    5.3631   -4.4417    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -2.9831   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028    0.7758   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796    1.4657   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -1.3843   -0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563   -0.6425   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    0.7019    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -0.6866    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847   -2.5911    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3957   -0.0762    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4309   -1.2584   -0.1124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    1.0791    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -1.1675    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -3.4041    0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6115   -0.1238    0.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304   -5.1047   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1135   -4.6143    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4064   -4.7285    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758   -2.3394    0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -2.8339   -1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206    1.3586   -0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426    2.5481   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -2.4650   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286   -0.6553   -0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    2.0123    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051   -2.1328    0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11  6  1  0  0  0  0
 11 24  1  0  0  0  0
 12 10  1  0  0  0  0
 12 25  1  0  0  0  0
 13 10  1  0  0  0  0
 13 26  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z26794351

>  <Barcode>
0110705954

>  <Well>
H03

>  <Plate_ID>
816280-03

>  <MW>
205.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11N3O2/c1-2-9(14)11-6-3-4-7-8(5-6)13-10(15)12-7/h3-5H,2H2,1H3,(H,11,14)(H2,12,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
