
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.3866   -2.1940   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5358    3.9315    0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2865    4.1122    1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2759    3.2211   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135    2.5398   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    0.3003    1.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455    0.2295   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4710    1.0976    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356    3.4985    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019    3.3900    0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471    2.6871    0.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729   -0.9580    0.8788 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0696   -0.9767   -0.4641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042    3.8939    1.9404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9471    2.9516   -0.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695   -2.4611   -1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881   -2.9935   -0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711   -2.0149   -1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5038    4.2770    1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0834    4.6273    2.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8980    2.8489   -0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521    3.0642    0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    3.0017   -0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.5928    2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715    0.3691   -2.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009    2.2965   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  2  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  2  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 11 26  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z275179758

>  <Barcode>
0110770230

>  <Well>
D07

>  <Plate_ID>
816280-08

>  <MW>
205.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
