
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.3110    5.7131   -4.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220   -0.3502   -4.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0013    0.9734   -4.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5104   -0.6680   -3.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955    1.6493   -2.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757    4.4581   -3.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511    1.9878   -4.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    0.3333   -2.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785   -0.7623   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341   -0.8528    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    3.3102   -4.6127 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987    0.0726   -1.1472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442    4.5311   -2.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -1.3530   -0.3245 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    5.5067   -5.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760    6.3746   -4.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3505    6.2096   -4.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456   -1.1344   -5.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.1942   -5.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5349   -1.6992   -2.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    2.4078   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -0.9678    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -1.4986    1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549    3.4233   -5.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    0.8245   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  2  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  7  5  2  0  0  0  0
  8 12  1  0  0  0  0
 10  9  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11  7  1  0  0  0  0
 11 24  1  0  0  0  0
 12  9  1  0  0  0  0
 12 25  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z198195770

>  <Barcode>
0110770225

>  <Well>
D02

>  <Plate_ID>
816280-08

>  <MW>
193.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
