
    alatis_output_mol

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2805   -7.8480    2.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898   -1.0763   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -2.4230    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0616   -0.6749   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7164   -3.4096    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -1.6376   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512   -1.6506   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -2.9764    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -2.9284   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346   -3.4088    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -5.3281    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228   -4.7451    0.2994 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280   -4.6707    0.9153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997   -6.6223    1.0497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4758   -5.5549    1.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7697   -6.6911    1.4949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -2.6411   -0.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -3.7600    0.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493   -8.5126    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910   -8.3568    1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728   -7.5207    3.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1787   -0.3264   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7550   -2.7062    0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8149    0.3727   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9572   -4.4534    0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -0.7839   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -5.3350    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  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  4  2  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 26  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 27  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z57292378

>  <Barcode>
0110770268

>  <Well>
A04

>  <Plate_ID>
816280-08

>  <MW>
243.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H9N5O2/c1-16-14-11(13-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
