
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.0858   -1.9064   -1.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6055    0.7041    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2010   -2.3785   -0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -1.9483    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271   -0.0948   -1.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2114    5.2949   -2.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0554    6.1492   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -1.4510   -1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.3479   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6348   -0.5861    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261    2.6732   -1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662    6.5366   -2.9753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973    7.0788   -1.8218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462    1.7299   -0.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317    3.9247   -0.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138    5.0173   -1.4183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314    2.4121   -2.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6947   -0.2971    1.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502   -1.0561   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798   -2.5137   -1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2771   -2.4976   -2.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999    0.4503    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668    0.7821   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3432    1.6675    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -3.4385   -0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9551   -2.6790    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    0.6311   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7599    4.6023   -3.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760    6.2583    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4111    1.9541    0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509    4.1120    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9 14  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <ID>
Z2234920345

>  <Barcode>
0110770240

>  <Well>
C08

>  <Plate_ID>
816280-08

>  <MW>
247.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	18
3	C	15
4	C	13
5	C	12
6	C	5
7	C	6
8	C	14
9	C	8
10	C	10
11	C	2
12	N	3
13	N	4
14	N	7
15	N	9
16	N	1
17	O	11
18	O	16
19	H	26
20	H	28
21	H	27
22	H	29
23	H	30
24	H	31
25	H	25
26	H	24
27	H	23
28	H	19
29	H	20
30	H	21
31	H	22


> <ALATIS_Mixture_Map>

$$$$
