
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -3.3390   -1.1339    1.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579    1.1478    0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9495   -1.0581    1.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    1.2031    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0107   -0.4248    1.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024   -0.1180    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566   -0.6118    3.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -0.0270    0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.1054    1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474   -0.3213    2.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5372   -0.0259    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.4037    2.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2250   -1.1933    0.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101   -0.6604    3.1417 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -0.0374    0.9096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407    0.1843    1.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1408    0.9893    0.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975   -0.9334    3.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8267   -2.0680    1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046    2.0308    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -1.9379    1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537    2.1289    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0886   -0.4969    1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285    0.0565   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.8213    4.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8131   -2.0868    1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2220   -1.1649    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439    0.8250    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8  2  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 13 11  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 16 28  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <ID>
Z30242120

>  <Barcode>
0110705949

>  <Well>
A03

>  <Plate_ID>
816280-01

>  <MW>
242.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H10N4O2/c13-11(17)8-1-3-9(4-2-8)16-12(18)10-7-14-5-6-15-10/h1-7H,(H2,13,17)(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
