
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.9278   -9.3772    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514    1.1592    2.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5151   -4.8456    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162   -4.9475    0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481   -3.4477    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478   -3.5487    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635    1.4151    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -0.0662    2.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -7.9485    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445   -5.6108    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144   -2.7928    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -0.6248    0.9518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    0.5478    0.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508   -0.9721    2.1339 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -7.0187    0.6127 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461   -7.7143    0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547   -1.4318    0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5265   -9.9228    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -9.8283   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171   -9.4587    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037    1.8773    2.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -5.3180    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782   -5.4882    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627   -2.8661    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -3.0778    0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1124    2.3564    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110   -0.3614    3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4234   -7.3729    0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  2  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  2  0  0  0  0
  8 27  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  2  0  0  0  0
 11 17  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 15 28  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z54571979

>  <Barcode>
0110705991

>  <Well>
E09

>  <Plate_ID>
816280-03

>  <MW>
229.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
