
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.8012    2.1136   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573    3.2255    1.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929   -0.5362   -3.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2941   -1.3247   -2.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -0.7698    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -1.0315    0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    0.8181   -1.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821    1.0891    1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3822    0.7926   -2.8969 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359    2.0963    0.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280   -0.4437   -1.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    1.0677    2.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    0.1005    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    3.0000   -1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    2.1681   -0.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0301    1.2281   -1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6529    3.1352    2.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002    4.1412    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760    3.2878    1.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114   -0.8530   -4.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102   -2.3966   -1.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671    0.0606    0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2935   -1.6610    0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0209   -1.3347    1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944   -1.8563   -0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565    1.7084   -1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  9  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z1722836661

>  <Barcode>
0110706270

>  <Well>
F07

>  <Plate_ID>
816280-07

>  <MW>
183.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
