
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.6981    2.7336    1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9165    1.2337    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -1.8292    1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.7117    1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886   -3.0952    1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774   -1.2473    0.1199 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7925    0.4776    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -0.5808    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394   -2.6754    0.4718 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261    0.0675    1.0602 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -0.5535   -1.1402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.1472   -0.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439    3.2721    1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    3.0482   -0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892    3.0398    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225    0.9536    2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8543    0.9641    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446   -1.8310    2.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9823   -1.7180    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -0.5674    2.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    0.2391    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560   -3.7806    0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551   -3.6194    2.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039   -1.1670   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -3.2186   -0.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
  9 25  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <ID>
Z1350579414

>  <Barcode>
9990531712

>  <Well>
C08

>  <Plate_ID>
816280-06

>  <MW>
167.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3O/c1-2-7-10-8(11-12-7)6-4-3-5-9-6/h6,9H,2-5H2,1H3/t6-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
