
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.3944    2.7416   -1.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.0723   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272   -1.3235   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582    1.2139    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -0.0315    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493    1.3664   -1.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001    1.4602   -2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    2.5082   -1.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799   -1.3004    0.2425 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    1.2284   -0.2757 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7665    0.6798   -3.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    3.8154   -2.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056    2.2091   -2.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9912    2.3998   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -0.0232    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -0.1230   -1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -2.1775    0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.4928   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    2.0886   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847    1.3369    1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.0227    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273   -0.1048   -0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646    0.5451   -2.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577    2.2972   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    2.9404   -0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2620   -2.1133   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8 25  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9 26  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z85934875

>  <Barcode>
0110705877

>  <Well>
G03

>  <Plate_ID>
816280-01

>  <MW>
157.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H15N3O/c1-8-7(11)6-10-4-2-9-3-5-10/h9H,2-6H2,1H3,(H,8,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
