
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.6905    1.2052    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.0217    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993    1.2619   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -1.1954   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3498   -4.5980   -0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5290   -5.6737   -2.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809   -5.7574   -1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396   -6.7838   -2.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411   -4.5574   -1.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4464    0.0874   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874   -1.1559   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069    0.1744   -0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -3.3838   -1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3640    1.2756   -1.1015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6052   -6.8491   -1.7911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5368   -2.3451   -0.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639   -0.7313   -0.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -3.3736   -1.9382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    2.1172    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265   -0.0715    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    2.2277    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419   -2.1427   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258   -3.7718   -0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187   -5.6834   -2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1060   -5.8412   -0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813   -7.6727   -2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7357    1.8721   -1.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3348    1.2681   -1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -2.2647   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  2  0  0  0  0
  6 24  1  0  0  0  0
  7  5  2  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 16 29  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z91797745

>  <Barcode>
0110705922

>  <Well>
C06

>  <Plate_ID>
816280-01

>  <MW>
241.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H11N3O2/c14-12(17)10-3-1-2-4-11(10)16-13(18)9-5-7-15-8-6-9/h1-8H,(H2,14,17)(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
